SCHEMBL17879418

SCHEMBL17879418

C#CCCCCCCC/C=C\CCCCSCCC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
MAPT P10636 3/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 2/20 0.34
CES2 O00748 1/20 0.34
PTGS1 P23219 2/20 0.34
TERT O14746 3/20 0.33
BLM P54132 2/20 0.33
FABP4 P15090 2/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
FAAH O00519 2/20 0.33
PTPN1 P18031 2/20 0.33
PPARG P37231 2/20 0.33

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
SCHEMBL17879416 0.91 MAPT (0.47) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL17868033 0.86 HSD17B10 (0.53) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL16486838 0.86 HSD17B10 (0.53) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL16487372 0.84 EPHX2 (0.41) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL16510911 0.84 EPHX2 (0.41) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL17868081 0.84 EPHX2 (0.41) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL17879415 0.84 HSD17B10 (0.41) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL16510910 0.75 HSD17B10 (0.64) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL14450308 0.73 HSD17B10 (0.61) CYP1A2MAPTCYP2C19HSD17B10CYP2C9
SCHEMBL16487277 0.73 MAPT (0.43) CYP1A2MAPTCYP2C19HSD17B10CYP2C9

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 1 patent. 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

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 CYP1A2 752/4885MAPT 4417/4885CYP2C19 1454/4885

“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.