SCHEMBL150433

SCHEMBL150433

CCOc1cc(C)cc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.40
LTA4H P09960 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2970581 0.94 NQO1 (0.52) NQO1TSHRTDP1CYP3A4TP53
SCHEMBL9503610 0.89 TP53 (0.53) NQO1TSHRTDP1CYP3A4TP53
SCHEMBL14461578 0.85 ESR1 (0.52) NQO1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL16951845 0.84 NQO1 (0.42) NQO1TSHRTDP1CYP3A4TP53
SCHEMBL16956758 0.84 MAPT (0.42) NQO1TSHRTDP1CYP3A4TP53
SCHEMBL16951377 0.84 NQO1 (0.42) NQO1TSHRTDP1CYP3A4TP53
SCHEMBL17204333 0.84 NQO1 (0.42) NQO1TSHRTDP1CYP3A4TP53
SCHEMBL256791 0.84 NQO1 (0.42) NQO1TSHRTDP1CYP3A4TP53
SCHEMBL9774077 0.84 ALDH1A1 (0.50) NQO1ALDH1A1MEN1RECQLKMT2A
SCHEMBL13144454 0.84 NQO1 (0.42) NQO1TSHRTDP1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426115-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US claimed
US-20110033803-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US claimed
US-20100159392-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-24 US claimed
CN-109809967-A A kind of method of synthesis of chiral alcohol 陕西师范大学 2019-05-28 CN disclosed
CN-109608400-A A kind of synthetic method of dexmedetomidine hydrochloride 辰欣药业股份有限公司 2019-04-12 CN disclosed
CN-106866538-B A kind of preparation method of Dexmedetomidine and its intermediate 江苏恒瑞医药股份有限公司 2019-04-05 CN disclosed
CN-108503579-A Fentanyl analog and its application 南京医科大学 2018-09-07 CN disclosed
CN-108473402-A Process for preparing substituted 2-arylethanols 拜耳作物科学股份公司 2018-08-31 CN disclosed
US-9929376-B2 Laminate, kit for manufacturing organic semiconductor, and resist composition for manufacturing organic semiconductor FUJIFILM CORPORATION (JP) 2018-03-27 US disclosed
US-9770432-B2 Deuterated benzopyran compounds and the use in the treatment of pain and inflammation GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2017-09-26 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20080070193-A1 Dental Composition Containing Unsaturated Carbosilane Containing Components 3M DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-20070231671-A1 Catalyst Material For Use In Fuel Cell, Catalyst Membrane, Membrane Electrode Assembly and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 US disclosed
US-7169890-B2 Process for the production of ramoplanin-like amide derivatives VICURON PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
WO-2007011003-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, THIN FILM AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2007-01-25 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 (2 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-20070207443-A1 Dental composition containing unsaturated carbosilane containing components TAS1R1, TAS2R41, TAS2R39 NQO1 2374/4885TSHR 1176/4885TDP1 1620/4885
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound EPX, TAS2R41, TAS1R1 NQO1 3520/4885TSHR 605/4885TDP1 1697/4885

“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.