SCHEMBL872965

SCHEMBL872965

Cc1ccc([C@H](C)C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
CHRNA7 P36544 1/20 0.41
ACHE P22303 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
STAT3 P40763 1/20 0.40
ALOX5 P09917 1/20 0.39
TYR P14679 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
NLRP1 Q9C000 1/20 0.34
NTSR1 P30989 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
SCHEMBL1532439 1.00 CYP2A6 (0.44) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL4831627 1.00 CYP2A6 (0.44) CYP2A6CHRNA7ACHETDP1STAT3
Isobutane SCHEMBL19460561 0.98 CYP2A6 (0.42) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL21628043 0.89 TYR (0.46) TYR
SCHEMBL2768678 0.88 CHRNA7 (0.38) CYP2A6CHRNA7ACHETDP1STAT3
SCHEMBL28164329 0.88 L3MBTL1 (0.42) CYP2A6ACHETDP1STAT3ALOX5
SCHEMBL9717427 0.84 ALDH1A1 (0.38) CYP2A6ACHETDP1STAT3ALOX5
SCHEMBL29595346 0.82 TYR (0.41) TYRGRIA4
SCHEMBL454717 0.82 TYR (0.58) TYRGAAALDH1A1HTTLMNA
SCHEMBL874206 0.82 TYR (0.58) TYRGAAALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398585-B1 EXTERNAL DERMAL COMPOSITION FOR ANTI-AGEING AND METHOD FOR PRODUCING THE SAME HAYASHIBARA CO (JP) 2020-02-26 EP disclosed
US-10309212-B2 Energetic cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-06-04 US disclosed
US-10253244-B2 Scale-inhibiting cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-04-09 US disclosed
US-20190008747-A1 EXTERNAL DERMAL COMPOSITION FOR ANTI-AGEING AND METHOD FOR PRODUCING THE SAME Hayashibara Co., Ltd. (JP) 2019-01-10 US disclosed
EP-3398585-A1 EXTERNAL DERMAL COMPOSITION FOR ANTI-AGEING AND METHOD FOR PRODUCING THE SAME Hayashibara Co., Ltd. (JP) 2018-11-07 EP disclosed
US-10111822-B2 External dermal composition for anti-ageing and method for producing the same Hayashibara Co., Ltd. (JP) 2018-10-30 US disclosed
EP-2939657-B1 SKIN-EXTERIOR ANTI-AGEING COMPOSITION AND PRODUCTION METHOD THEREFOR HAYASHIBARA CO (JP) 2018-08-08 EP disclosed
US-10015984-B2 Disintegrable capsule, manufacturing method for same, and smoking device containing said disintegrable capsule SUNSHO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
US-9975831-B2 Method for producing ether compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-05-22 US disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
EP-0345966-B1 Compositions containing chlorine dioxide and their preparation JOHNSON & SON INC S C (US) 1994-12-14 EP disclosed
EP-0345966-A2 Compositions containing chlorine dioxide and their preparation S.C. JOHNSON & SON, INC. (US) 1989-12-13 EP disclosed
US-4861514-A Compositions containing chlorine dioxide and their preparation THE DRACKETT COMPANY (US) 1989-08-29 US disclosed
EP-0174821-A2 Methods of treating vegetable foods for animals and fragrance compositions for use therein A.B.M. CHEMICALS LIMITED (GB) 1986-03-19 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 CYP2A6 19/4885CHRNA7 1806/4885ACHE 1176/4885

“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.