SCHEMBL7434659

SCHEMBL7434659

COC(=O)C(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CA14 Q9ULX7 4/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
PIK3CD O00329 1/20 0.32
DGAT1 O75907 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13798757 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL18651110 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL10331462 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL775818 0.80 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12DPP4
SCHEMBL23786850 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL31111331 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL28738654 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL15777140 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL9763405 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL3147895 0.78 SMN1; SMN2 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104974600-A Water-in-water multicolor pattern paint SUZHOU SHUERSHI TEXTILE NEW MATERIAL TECHNOLOGY CO LTD 2015-10-14 CN claimed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
CN-106432365-B Ferrocenyl compounds and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds 赢创运营有限公司 2020-04-07 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed
US-10077228-B2 Ferrocene-based compounds and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds EVONIK DEGUSSA GMBH (DE) 2018-09-18 US disclosed
EP-3121186-B1 FERROCENE-BASED COMPOUNDS AND PALLADIUM CATALYSTS BASED ON SAME FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2018-09-12 EP disclosed
US-20180022765-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF ALCOHOLS EVONIK DEGUSSA GMBH (DE) 2018-01-25 US disclosed
US-20180022765-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF ALCOHOLS EVONIK DEGUSSA GMBH (DE) 2018-01-25 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20140030609-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2014-01-30 US disclosed
CN-103477492-A Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES 2013-12-25 CN disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 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 (7 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 SMN1; SMN2 4669/4885CA14 4857/4885CA12 4844/4885
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 SMN1; SMN2 837/4885CA14 2616/4885CA12 2722/4885
US-10077228-B2 Ferrocene-based compounds and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds C5, C1S, ALOX12 SMN1; SMN2 3811/4885CA14 2232/4885CA12 755/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT SMN1; SMN2 3152/4885CA14 2834/4885CA12 2903/4885
US-20180022765-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF ALCOHOLS ADH1C, ADH1A, C1S SMN1; SMN2 3449/4885CA14 1457/4885CA12 807/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SMN1; SMN2 3655/4885CA14 4885/4885CA12 4876/4885
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 SMN1; SMN2 4466/4885CA14 1437/4885CA12 2485/4885

“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.