SCHEMBL6938889

SCHEMBL6938889

CC1(COCC2(C)CCCCC2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7564099 1.00 HPGD (0.37) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL9750724 0.97 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL10305806 0.87 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL10447437 0.87 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL10447629 0.87 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL12972056 0.85 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL3691224 0.85 HPGD (0.33) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL90746 0.83 PARP1 (0.32) HPGDPARP1
SCHEMBL19188768 0.83 HPGD (0.33) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL4383821 0.80 HPGD (0.33) HPGDPARP1MEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339406-A1 FRAGRANCE COMPOSITION International Flavors & Fragrances Inc. (US) 2018-06-27 EP claimed
US-20180171264-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-06-21 US claimed
EP-1341512-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP claimed
WO-2002041861-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2002-05-30 WO claimed
CN-108203622-B Organoleptic compounds 国际香料和香精公司 2022-09-09 CN disclosed
EP-3339406-B1 FRAGRANCE COMPOSITION INT FLAVORS & FRAGRANCES INC (US) 2020-02-12 EP disclosed
EP-3339406-A1 FRAGRANCE COMPOSITION International Flavors & Fragrances Inc. (US) 2018-06-27 EP disclosed
CN-103201251-B By the method for benzylamine compound initial preparation 2,2-difluoroethylamine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-02 CN disclosed
EP-0284005-B1 METHOD OF PRODUCTION OF POLYOLEFINS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed
US-4981930-A POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-01-01 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 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 (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-20180171264-A1 NOVEL ORGANOLEPTIC COMPOUNDS TRPA1, TRPV1, TRPV5 HPGD 1226/4885PARP1 3984/4885MEN1 3962/4885

“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.