SCHEMBL3904245

SCHEMBL3904245

CCCC(C)(C#N)C(C)CCC=C(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.37
ALDH1A1 P00352 1/20 0.37
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
SCHEMBL3909207 0.87 ALOX15 (0.39) ALOX15ALDH1A1TSHR
SCHEMBL3901906 0.81 ALOX15 (0.37) ALOX15ALDH1A1TSHR
SCHEMBL3897147 0.81 ALOX15 (0.37) ALOX15ALDH1A1TSHR
SCHEMBL2445516 0.78 ALOX15 (0.42) ALOX15ALDH1A1TSHR
SCHEMBL3898616 0.78 ALOX15 (0.42) ALOX15ALDH1A1TSHR
SCHEMBL3901659 0.75 ALOX15 (0.40) ALOX15ALDH1A1TSHR
SCHEMBL14324189 0.74 ALOX15 (0.46) ALOX15ALDH1A1TSHR
SCHEMBL14324191 0.74 ALOX15 (0.46) ALOX15ALDH1A1TSHR
SCHEMBL14324190 0.74 ALOX15 (0.46) ALOX15ALDH1A1TSHR
SCHEMBL30449102 0.73

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 10 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
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
US-7361630-B2 Alkyl substituted octennitrile derivatives INTERNATIONAL FLAVORS & FRAGRANIES INC. (US) 2008-04-22 US 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
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
US-20070055082-A1 Alkyl substituted octennitrile derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-03-08 US 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 ALOX15 1051/4885ALDH1A1 2282/4885TSHR 2221/4885

“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.