SCHEMBL16487372

SCHEMBL16487372

C#CCCCCCCCC=CCCCCSCCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.36
OXER1 Q8TDS5 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL17868081 1.00 EPHX2 (0.41) EPHX2ALOX5ALDH1A1LMNACNR1
SCHEMBL16510911 1.00 EPHX2 (0.41) EPHX2ALOX5ALDH1A1LMNACNR1
SCHEMBL16487277 0.91 MAPT (0.43) ALDH1A1LMNACYP1A2CYP2D6MAPT
SCHEMBL18102172 0.85 ALDH1A1 (0.54) EPHX2ALOX5ALDH1A1LMNACNR1
SCHEMBL17879418 0.84 CYP1A2 (0.40) ALDH1A1LMNACNR1CYP1A2CYP2D6
SCHEMBL16486838 0.82 HSD17B10 (0.53) LMNACYP1A2CYP2D6MAPTCYP2C9
SCHEMBL17868033 0.82 HSD17B10 (0.53) LMNACYP1A2CYP2D6MAPTCYP2C9
SCHEMBL18102168 0.79 EPHX2 (0.48) EPHX2ALOX5ALDH1A1LMNACNR1
SCHEMBL18102170 0.78 CNR1 (0.53) ALOX5ALDH1A1CNR1MAPTCNR2
SCHEMBL23387069 0.78 ALDH1A1 (0.43) EPHX2ALOX5ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185735-A1 FATTY ACID ANALOGS AND THEIR USE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-06-30 US disclosed
WO-2015023631-A2 FATTY ACID ANALOGS AND THEIR USE ANDERSON CAROLYN (US) 2015-02-19 WO 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 (1 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-20160185735-A1 FATTY ACID ANALOGS AND THEIR USE FABP4, ELOVL1, CPT1A EPHX2 881/4885ALOX5 31/4885ALDH1A1 76/4885

“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.