SCHEMBL5706458

SCHEMBL5706458

CCCCC(CC)(CN)C(=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
FDPS P14324 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 1/20 0.30
SMPD1 P17405 2/20 0.30
CES2 O00748 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28423843 0.86 CYP4F2 (0.43) CYP4F2CYP4A11FDPSALDH1A1MEN1
SCHEMBL1261010 0.85 ALDH1A1 (0.41) CYP4F2CYP4A11FDPSALDH1A1MEN1
SCHEMBL27805166 0.84 CYP4F2 (0.42) CYP4F2CYP4A11FDPSALDH1A1MEN1
SCHEMBL5342373 0.79 CYP4F2 (0.50) CYP4F2CYP4A11FDPSALDH1A1MEN1
SCHEMBL29094913 0.77 CYP4F2 (0.42) CYP4F2CYP4A11FDPSALDH1A1SMPD1
SCHEMBL1728131 0.77 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL4653162 0.75 ALDH1A1 (0.43) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL10814845 0.75 CYP4F2 (0.39) CYP4F2CYP4A11FDPSALDH1A1MEN1
SCHEMBL14852821 0.74 CYP4F2 (0.50) CYP4F2CYP4A11FDPSMEN1MAPT
SCHEMBL28616760 0.74 FDPS (0.39) FDPSALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286655-B1 TOPICAL COMPOSITION CONTAINING AT LEAST ONE ARYL OXIME, AND METHOD FOR THE PREPARATION THEREOF MERCK PATENT GMBH (DE) 2006-09-13 EP claimed
EP-1250043-B1 EXTENDED DURATION INSECT REPELLENT COMPOSITION AND METHOD OF APPLICATION TO THE SKIN AVON PROD INC (US) 2004-09-08 EP claimed
US-20030176470-A1 Topical composition containing at least one aryl oxime, and method for the preparation thereof MERCK PATENT GMBH (DE) 2003-09-18 US claimed

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-20030176470-A1 Topical composition containing at least one aryl oxime, and method for the preparation thereof MGLL, LIPA, GLO1 CYP4F2 1967/4885CYP4A11 1653/4885FDPS 4311/4885

“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.