SCHEMBL1026416

SCHEMBL1026416

CCCOC(=O)Nc1ccc(C)c(NC(=O)OCCC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 7/20 0.60
HPGD P15428 6/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 3/20 0.60
NLRP3 Q96P20 1/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
EGFR P00533 2/20 0.48

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
SCHEMBL7563817 0.94 LMNA (0.58) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL473117 0.91 RAB9A (0.73) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1023753 0.90 RAB9A (0.67) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL473082 0.89 NLRP3 (0.66) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1022067 0.89 RAB9A (0.66) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1955495 0.89 RAB9A (0.66) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1952980 0.89 RAB9A (0.66) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL473269 0.89 RAB9A (0.66) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1951874 0.89 RAB9A (0.66) LMNASMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1951600 0.89 RAB9A (0.66) LMNASMN1; SMN2HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 US claimed
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-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 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
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 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
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 US disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 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 (4 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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 LMNA 3875/4885SMN1; SMN2 4075/4885HPGD 304/4885
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 LMNA 1776/4885SMN1; SMN2 2959/4885HPGD 595/4885
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR LMNA 4196/4885SMN1; SMN2 4580/4885HPGD 299/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH LMNA 4077/4885SMN1; SMN2 3651/4885HPGD 22/4885

“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.