SCHEMBL2016930

SCHEMBL2016930

CCCCCc1cccc(OC(=O)OCCCCCCCCc2ccccc2)c1CCCCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
ELANE P08246 3/20 0.50
PPARA Q07869 2/20 0.48
PPARG P37231 2/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
EP300 Q09472 1/20 0.43
KAT5 Q92993 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
BID P55957 4/20 0.41
MCL1 Q07820 4/20 0.41
BCL2L1 Q07817 3/20 0.41
BAK1 Q16611 3/20 0.41

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
SCHEMBL2021589 1.00 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2018798 1.00 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2044275 1.00 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2016098 1.00 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2050584 0.99 LTB4R (0.49) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2018199 0.98 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2025869 0.98 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2046985 0.98 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2018743 0.98 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG
SCHEMBL2018921 0.98 LTB4R (0.51) LTB4RLTB4R2ELANEPPARAPPARG

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 LTB4R 2695/4885LTB4R2 2861/4885ELANE 1314/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A LTB4R 4416/4885LTB4R2 4365/4885ELANE 1745/4885
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 LTB4R 3012/4885LTB4R2 3053/4885ELANE 1023/4885

“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.