SCHEMBL347298

SCHEMBL347298

C=CCCCCCCCCC#N

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TSHR P16473 3/20 0.46
TRPA1 O75762 3/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
LPAR3 Q9UBY5 2/20 0.34
LMNA P02545 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 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
SCHEMBL515417 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1USP2MAPT
SCHEMBL3119157 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1USP2MAPT
SCHEMBL28285571 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1USP2MAPT
SCHEMBL14675841 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1USP2MAPT
SCHEMBL515877 1.00
SCHEMBL1727419 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1USP2MAPT
SCHEMBL2390939 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1USP2MAPT
SCHEMBL30319228 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1USP2MAPT
SCHEMBL151637 0.97
SCHEMBL150327 0.89

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 300 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
US-20190209441-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-07-11 US claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
US-20190175476-A1 HAIR COLORING OR BLEACHING COMPOSITION WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-06-13 US claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
US-10240108-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2019-03-26 US claimed
EP-3365418-A2 PARTICLES FOR MALODOR REDUCTION The Procter and Gamble Company (US) 2018-08-29 EP claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
WO-2018053183-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORPORATION (US) 2018-03-22 WO claimed
WO-2018053065-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO claimed
EP-1626999-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS Exxonmobil Chemical Patents Inc. (US) 2006-02-22 EP claimed
US-20040260043-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS, INC. 2004-12-23 US claimed
WO-2004101634-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-11-25 WO claimed
EP-1174117-B1 Fragrance composition comprising a mixture of nitriles GIVAUDAN SA (CH) 2004-11-10 EP claimed
US-6743768-B2 MIXTURE OF (9E)-UNDECENONITRILE, (9Z)-UNDECENONITRILE, AND 10-UNDECENONITRILE; PERFUMES GIVAUDAN SA (CH) 2004-06-01 US claimed
US-20020035054-A1 Fragrance composition comprising a mixture of nitriles GIVAUDAN SA (CH) 2002-03-21 US claimed
EP-1174116-A1 Fragrance composition comprising a mixture of nitriles Givaudan SA (CH) 2002-01-23 EP claimed
EP-1174117-A1 Fragrance composition comprising a mixture of nitriles Givaudan SA (CH) 2002-01-23 EP claimed
US-4217299-A Method for converting unsaturated compound having functional group JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1980-08-12 US claimed
US-3974196-A Method for disproportionating ethylenically unsaturated compounds having functional ester groups JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1976-08-10 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 (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-20020035054-A1 Fragrance composition comprising a mixture of nitriles PNN, NISCH, NOX5 ALDH1A1 838/4885TSHR 4778/4885TRPA1 58/4885
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 ALDH1A1 33/4885TSHR 1666/4885TRPA1 20/4885

“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.