SCHEMBL237275

SCHEMBL237275

CC(C)=CCCC(C)C(C)C#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.42
SRC P12931 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3899877 0.80 ALOX15 (0.41) ALOX15ALDH1A1TSHRSRCTDP1
SCHEMBL14331466 0.80 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL14323435 0.80 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL4867630 0.79 ALOX15 (0.40) ALOX15ALDH1A1TSHRSRCTDP1
SCHEMBL4866731 0.75 ALOX15 (0.37) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL11868741 0.75 ALOX15 (0.52) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL11689424 0.74 ALOX15 (0.47) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL7027334 0.74 ALOX15 (0.42) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL3900721 0.74 GLA (0.43) ALOX15ALDH1A1TSHRKMT2ATDP1
SCHEMBL1532213 0.74 FNTA (0.45) ALOX15ALDH1A1KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346816-B1 Chemically stable ingredients as lemon odorant FIRMENICH & CIE (CH) 2013-01-23 EP disclosed
US-8313736-B2 Chemically stable ingredients as lemon odorant FIRMENICH SA (CH) 2012-11-20 US disclosed
US-20120003170-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT FIRMENICH SA (CH) 2012-01-05 US disclosed
EP-2346816-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT Firmenich S.A. (CH) 2011-07-27 EP disclosed
WO-2010044031-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT FIRMENICH SA (CH) 2010-04-22 WO disclosed
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
EP-0025939-B1 ALIPHATIC METHOXY OR HYDROXY NITRILES, THEIR PREPARATION, AND THEIR USE AS ODORIFEROUS COMPOUNDS BASF Aktiengesellschaft (DE) 1982-05-26 EP disclosed
EP-0025939-A1 Aliphatic methoxy or hydroxy nitriles, their preparation, and their use as odoriferous compounds BASF Aktiengesellschaft (DE) 1981-04-01 EP 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 (2 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
US-20120003170-A1 CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT NISCH, TAS2R5, ODC1 ALOX15 210/4885ALDH1A1 309/4885TSHR 4811/4885

“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.