SCHEMBL2495517

SCHEMBL2495517

Cc1ccccc1C(C)(C)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ACHE P22303 2/20 0.45
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASR P41180 1/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4237173 0.84 TSHR (0.45) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL672576 0.83 TSHR (0.43) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL29913900 0.83 TSHR (0.43) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL11528502 0.81 TSHR (0.47) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL31521772 0.81 TSHR (0.47) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL8947032 0.81 TSHR (0.47) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL9420693 0.80 TRPA1 (0.46) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL28169119 0.80 GABRA1 (0.45) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL27465065 0.80 ACHE (0.41) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL11149592 0.80 TSHR (0.41) TSHRACHEGABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116686825-A Quick-acting type smart glufosinate-ammonium solution and preparation method thereof 杭州邦化生物科技有限公司 2023-09-05 CN claimed
CN-118076485-A Laminate, epoxy film, and wound body 三菱化学株式会社 2024-05-24 CN disclosed
CN-116686825-A Quick-acting type smart glufosinate-ammonium solution and preparation method thereof 杭州邦化生物科技有限公司 2023-09-05 CN disclosed
CN-114292166-A Preparation method of 2, 2-diethoxyethanol 上海瑞合达医药科技有限公司 2022-04-08 CN disclosed
CN-107698538-B Preparation method of intermediate 3- (1-piperidinylmethyl) phenol of roxatidine acetate hydrochloride 内蒙古京东药业有限公司 2020-02-14 CN disclosed
CN-104829418-B Method for preparing benzyl chloride compound 湖南海利化工股份有限公司 2017-05-17 CN disclosed
WO-2016202894-A1 METHOD OF CONVERTING ALCOHOL TO HALIDE UNIVERSITAET DES SAARLANDES (DE) 2016-12-22 WO disclosed
US-8703277-B2 Curable resin composition ASAHI KASEI E-MATERIALS CORPORATION (JP) 2014-04-22 US disclosed
US-20130266779-A1 CURABLE RESIN COMPOSITION ASAHI KASEI E-MATERIALS CORPORATION (JP) 2013-10-10 US disclosed
US-8030382-B2 Polylactic acid composition TEIJIN LIMITED (JP) 2011-10-04 US disclosed
US-20100093888-A1 POLYLACTIC ACID COMPOSITION TEIJIN LIMITED (JP) 2010-04-15 US disclosed
EP-2116576-A1 POLYLACTIC ACID COMPOSITION Teijin Limited (JP) 2009-11-11 EP disclosed
US-6797805-B2 Organic polymers and novel polymerizable compounds MITSUI CHEMICALS, INC. (JP) 2004-09-28 US disclosed
EP-1361246-A1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-11-12 EP disclosed
US-20030166808-A1 Organic polymers and novel polymerizable compound MITSUI CHEMICALS, INC. (JP) 2003-09-04 US disclosed
US-5554458-A ANODE OF ALUMINUM OR IT ALLOYS, IRON SULFIDE CATHODE, NONAQUEOUS SOLVENT AND ELECTROLYTES COMPRISING ALUMINUM AND ORGANIC HALIDES; EXCELLENT RECHARGING SONY CORPORATION (JP) 1996-09-10 US disclosed
EP-0244819-A2 Improved process for preparing substituted anthra[1,9-cd]-pyrazol-6(2H)-ones WARNER-LAMBERT COMPANY (US) 1987-11-11 EP disclosed
US-3976587-A N-TRIMETHYLBENZYL DIETHYLENETRIAMINE, DISINFECTANT MILLMASTER ONYX CORPORATION (US) 1976-08-24 US disclosed
US-3968246-A Disinfecting with N-trimethylbenzyl ethylenediamine MILLMASTER ONYX CORPORATION (US) 1976-07-06 US disclosed
US-3960538-A INHIBITION OF ALGAE MILLMASTER ONYX CORPORATION (US) 1976-06-01 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-20030166808-A1 Organic polymers and novel polymerizable compound PCNA, UTP18, ODC1 TSHR 3759/4885ACHE 1623/4885GABRA1 3682/4885

“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.