SCHEMBL3901535

SCHEMBL3901535

C/C=C/CCCCC(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.65
SOAT1 P35610 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 2/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
KDM4E B2RXH2 2/20 0.59
CNR1 P21554 1/20 0.55
TERT O14746 3/20 0.43
PTPN1 P18031 3/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
MAPT P10636 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FABP4 P15090 2/20 0.43
F7 P08709 2/20 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
SCHEMBL3901539 1.00 FAAH (0.65) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL17352280 0.98 FAAH (0.69) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL17352281 0.98 FAAH (0.69) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL8696497 0.98 FAAH (0.69) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL8696500 0.98 FAAH (0.69) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7902870 0.95 FAAH (0.67) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7902868 0.95 FAAH (0.67) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL1270704 0.92
SCHEMBL1270703 0.92
SCHEMBL13626153 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762565-B1 Alkyl substituted octennitrile derivatives INT FLAVORS & FRAGRANCES INC (US) 2009-03-18 EP disclosed
US-7361630-B2 Alkyl substituted octennitrile derivatives INTERNATIONAL FLAVORS & FRAGRANIES INC. (US) 2008-04-22 US disclosed
EP-1762565-A1 Alkyl substituted octennitrile derivatives INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-03-14 EP disclosed
US-20070055082-A1 Alkyl substituted octennitrile derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-03-08 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-20070055082-A1 Alkyl substituted octennitrile derivatives ARNT, HCCS, AHR FAAH 2389/4885SOAT1 1378/4885CYP1A2 161/4885

“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.