SCHEMBL1952010

SCHEMBL1952010

CCCCCOC(=O)Nc1cccc(C)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.64
LMNA P02545 2/20 0.62
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CYP2C9 P11712 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1952510 0.99 NLRP3 (0.63) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1951552 0.99 NLRP3 (0.63) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1952787 0.99 NLRP3 (0.63) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1955427 0.99 NLRP3 (0.63) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1953053 0.99 NLRP3 (0.63) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1950966 0.99 NLRP3 (0.63) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1955670 0.99 NLRP3 (0.63) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1956240 0.96 NLRP3 (0.66) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL1954916 0.90 LMNA (0.74) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL29290659 0.88 SMN1; SMN2 (0.62) NLRP3LMNACYP1A2CYP2C19SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
EP-3153500-A1 METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 US disclosed
EP-2980066-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2016-02-03 EP disclosed
US-9145357-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-8957241-B2 Method for producing carbonyl compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-17 US disclosed
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-8658819-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-02-25 US disclosed
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 NLRP3 980/4885LMNA 1776/4885CYP1A2 1325/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 NLRP3 2397/4885LMNA 2133/4885CYP1A2 1066/4885
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 NLRP3 980/4885LMNA 1776/4885CYP1A2 1325/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A NLRP3 2368/4885LMNA 1301/4885CYP1A2 393/4885
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 NLRP3 980/4885LMNA 1776/4885CYP1A2 1325/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.