SCHEMBL755775

SCHEMBL755775

C=C1CCCC(C)(C)C1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
NR3C1 P04150 3/20 0.33
PGR P06401 3/20 0.33
AR P10275 3/20 0.33
NR3C2 P08235 1/20 0.33
ALOX5 P09917 1/20 0.33
DRD2 P14416 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
STAT3 P40763 1/20 0.32
NLRP3 Q96P20 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 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
SCHEMBL4111930 0.76 TRPA1 (0.42) TRPA1NR3C1PGRARNR3C2
SCHEMBL11662994 0.74 TRPA1 (0.45) TRPA1NR3C1PGRARNR3C2
SCHEMBL22462367 0.73
SCHEMBL22771105 0.73
SCHEMBL25137147 0.71 CA1 (0.39) CYP3A4
SCHEMBL4254045 0.71 CA1 (0.39) CYP3A4
SCHEMBL4104417 0.70 PTPN1 (0.54) CYP3A4CYP2C9CYP2C19PTPN2PTPN1
SCHEMBL11501603 0.70 NR3C1 (0.45) TRPA1NR3C1PGRARNR3C2
SCHEMBL9386032 0.70 PTPN2 (0.40) TRPA1NR3C1PGRARNR3C2
SCHEMBL13950644 0.70 TRPA1 (0.41) TRPA1NR3C1PGRARNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197510-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS The Procter & Gamble Company (US) 2017-08-02 EP claimed
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
EP-2430140-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2012-03-21 EP claimed
WO-2010132531-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-11-18 WO claimed
US-20230093639-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT FIRMENICH SA (CH) 2023-03-23 US disclosed
CN-103687847-B The manufacturing method of isocyanate compound 宇部兴产株式会社 2019-04-02 CN disclosed
US-20170137753-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS PROCTER & GAMBLE (US) 2017-05-18 US disclosed
US-20100287710-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-11-18 US disclosed
US-20090076136-A1 THERAPEUTIC AGENT ENOKI TATSUJI 2009-03-19 US disclosed
US-20070060641-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-03-15 US disclosed
EP-1627632-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-22 EP disclosed
US-4179468-A Cyclic terpenoid onium salts, their preparation and uses SCM CORPORATION (US) 1979-12-18 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 (3 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-20090076136-A1 THERAPEUTIC AGENT GPR119, IAPP, FABP4 TRPA1 3423/4885NR3C1 978/4885PGR 2855/4885
US-20070060641-A1 Therapeutic agent GPR119, IAPP, FABP4 TRPA1 3423/4885NR3C1 978/4885PGR 2855/4885
US-20230093639-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT PORCN, FAAH2, FASN TRPA1 119/4885NR3C1 4624/4885PGR 3312/4885

“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.