SCHEMBL872725

SCHEMBL872725

CCCc1ccccc1C(C)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
TSHR P16473 1/20 0.41
CYSLTR2 Q9NS75 8/20 0.40
CYSLTR1 Q9Y271 8/20 0.40
LIPG Q9Y5X9 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HTR1A P08908 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
SCHEMBL5932304 0.88 CYSLTR2 (0.48) TSHRCYSLTR2CYSLTR1LIPG
SCHEMBL16155004 0.88 CYSLTR2 (0.48) TSHRCYSLTR2CYSLTR1LIPG
SCHEMBL10441611 0.86 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPG
SCHEMBL27299343 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPG
SCHEMBL10940820 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPG
SCHEMBL9808865 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPG
SCHEMBL27992469 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPG
SCHEMBL10441855 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPG
SCHEMBL500647 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPG
SCHEMBL14724792 0.83 TDP1 (0.38) TSHRCYSLTR2CYSLTR1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998041492-A1 METHOD FOR PRODUCING AROMATIC ALCOHOLS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-09-24 WO claimed
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
EP-2947185-B1 POLYURETHANE FIBER AND ITS USE TORAY OPELONTEX CO LTD (JP) 2018-02-28 EP disclosed
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-20160002827-A1 POLYURETHANE FIBER TORAY OPELONTEX CO., LTD. (JP) 2016-01-07 US disclosed
EP-2947185-A1 POLYURETHANE FIBER Toray Opelontex Co., Ltd (JP) 2015-11-25 EP disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP 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-0714984-B1 Process for producing optically active alcohol containing phenyl group NISSHIN OIL MILLS LTD (JP) 2002-01-02 EP disclosed
WO-1998041492-A1 METHOD FOR PRODUCING AROMATIC ALCOHOLS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-09-24 WO disclosed
US-5600027-A Process for producing optically active alcohol containing phenyl group THE NISSHIN OIL MILLS, LTD. (JP) 1997-02-04 US disclosed
EP-0714984-A2 Process for producing optically active alcohol containing phenyl group The Nisshin Oil Mills, Ltd. (JP) 1996-06-05 EP disclosed
US-4317894-A Low temperature cure coating compositions PPG INDUSTRIES, INC. (US) 1982-03-02 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 (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 ADRA2A 1286/4885ADRA2B 2029/4885ADRA2C 1090/4885

“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.