SCHEMBL9054540

SCHEMBL9054540

CNc1ccc(CCCC(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
TSHR P16473 1/20 0.47
CYP4A11 Q02928 3/20 0.46
CYP4F2 P78329 2/20 0.46
ALOX5 P09917 1/20 0.44
IDO1 P14902 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43

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
SCHEMBL597578 0.89 IDO1 (0.52) EPHX2CYP4A11CYP4F2IDO1
SCHEMBL22921868 0.89 TSHR (0.58) EPHX2TSHRCYP4A11CYP4F2ALOX5
SCHEMBL6535275 0.83 EPHX2 (0.57) EPHX2TSHRL3MBTL1
SCHEMBL13768703 0.82 POLB (0.50) NPC1RAB9A
SCHEMBL28693818 0.82 KDM1A (0.44) NPC1RAB9A
SCHEMBL17087191 0.82 HSD17B10 (0.61) EPHX2TSHR
SCHEMBL1863579 0.82 CALM1 (0.55) EPHX2TSHRCYP4A11CYP4F2
SCHEMBL1866015 0.82 CYP4A11 (0.50) EPHX2TSHRCYP4A11CYP4F2ALOX5
SCHEMBL12508639 0.82 TSHR (0.50) EPHX2TSHRCYP4A11CYP4F2ALOX5
SCHEMBL3456495 0.82 CYP4A11 (0.53) EPHX2TSHRCYP4A11CYP4F2ALOX5

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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
WO-1996004246-A1 PHENYLACETAMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R EPHX2 2265/4885TSHR 153/4885CYP4A11 1529/4885

“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.