SCHEMBL7747412

SCHEMBL7747412

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.55
TRPA1 O75762 2/20 0.55
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.37
OPRM1 P35372 1/20 0.36
KCNA5 P22460 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
CYP19A1 P11511 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7750544 1.00 TRPM8 (0.55) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL113450 1.00 TRPM8 (0.55) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL26191668 1.00 TRPM8 (0.55) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL26191694 1.00 TRPM8 (0.55) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL3473926 0.84 TRPM8 (0.52) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL25403533 0.83 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL10175610 0.83 TRPA1 (0.39) TRPM8TRPA1EPHX1
SCHEMBL4661828 0.81 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL1983430 0.81 TRPM8 (0.52) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL3475454 0.80 TRPM8 (0.52) TRPM8TRPA1EPHX1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY 2019-09-12 US disclosed
US-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY 2019-09-12 US disclosed
WO-2017106279-A1 SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-06-22 WO disclosed
EP-0776322-B1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-11-07 EP disclosed
EP-1116718-A2 Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.p.A. (IT) 2001-07-18 EP disclosed
US-5767282-A Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.P.A. (IT) 1998-06-16 US disclosed
EP-0776322-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-04 EP disclosed
WO-1997000870-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-01-09 WO 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-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, TAS2R8, TRPA1 TRPM8 39/4885TRPA1 3/4885EPHX1 1625/4885

“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.