SCHEMBL2024313

SCHEMBL2024313

CCCCOC(=O)OCCCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
TSHR P16473 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
FFAR1 O14842 1/20 0.51
NAAA Q02083 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL2019025 1.00 LMNA (0.54) LMNATSHRALDH1A1TDP1L3MBTL1
SCHEMBL2024989 1.00 LMNA (0.54) LMNATSHRALDH1A1TDP1L3MBTL1
SCHEMBL2020804 1.00 LMNA (0.54) LMNATSHRALDH1A1TDP1L3MBTL1
SCHEMBL2024871 1.00 LMNA (0.54) LMNATSHRALDH1A1TDP1L3MBTL1
SCHEMBL2025902 0.98 LMNA (0.56) LMNATSHRALDH1A1TDP1L3MBTL1
SCHEMBL2017866 0.97 TSHR (0.57) LMNATSHRALDH1A1CYP3A4MAPK1
SCHEMBL2019495 0.97 TSHR (0.57) LMNATSHRALDH1A1CYP3A4MAPK1
SCHEMBL2018691 0.97 TSHR (0.57) LMNATSHRALDH1A1CYP3A4MAPK1
SCHEMBL2023084 0.97 TSHR (0.57) LMNATSHRALDH1A1CYP3A4MAPK1
SCHEMBL2018238 0.97 TSHR (0.57) LMNATSHRALDH1A1CYP3A4MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP 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-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
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-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-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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 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 (3 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH LMNA 2324/4885TSHR 2998/4885ALDH1A1 574/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A LMNA 1301/4885TSHR 4410/4885ALDH1A1 1861/4885
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 LMNA 1776/4885TSHR 4686/4885ALDH1A1 1568/4885

“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.