SCHEMBL2021667

SCHEMBL2021667

CCCCc1cccc(OC(=O)OCCCc2ccccc2)c1CCCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
PPARG P37231 2/20 0.45
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
LMNA P02545 1/20 0.45
CTSK P43235 1/20 0.43
PPARA Q07869 2/20 0.42
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 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
SCHEMBL2017209 0.96 ELANE (0.48) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2042917 0.96 LTB4R (0.49) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2018921 0.95 LTB4R (0.51) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2025869 0.95 LTB4R (0.51) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2018199 0.95 LTB4R (0.51) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2046985 0.95 LTB4R (0.51) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2018743 0.95 LTB4R (0.51) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2050584 0.94 LTB4R (0.49) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2021372 0.94 PPARG (0.46) ELANEPPARGPTGESALOX5LTB4R
SCHEMBL2018798 0.93 LTB4R (0.51) ELANEPPARGPTGESALOX5LTB4R

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 ELANE 1314/4885PPARG 882/4885PTGES 1029/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A ELANE 1745/4885PPARG 2846/4885PTGES 2946/4885
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 ELANE 1023/4885PPARG 753/4885PTGES 1754/4885

“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.