SCHEMBL3967192

SCHEMBL3967192

O=C1OC(=O)c2c1c(Br)cc1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HIF1A Q16665 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CES1 P23141 1/20 0.40
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
DNMT1 P26358 1/20 0.35
GAA P10253 1/20 0.35
NQO1 P15559 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 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
SCHEMBL4961115 0.81 CES1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL5457121 0.78 ALOX5 (0.43) CES1ALOX5TSHRKDM4EMEN1
SCHEMBL4957625 0.77 AHR (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL600270 0.77 TRPM4 (0.50) ALDH1A1HSD17B10CES1ALOX5KDM4E
SCHEMBL9038314 0.77 POLB (0.43) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL4960932 0.77 TYMS (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL6289873 0.77 CES1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL8735650 0.77 CYP1A2 (0.44) ALDH1A1HSD17B10CES1ALOX5PTGES
SCHEMBL3852137 0.76 CDK4 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL9612596 0.76 CES1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022044761-A1 COMPOSITION CONTAINING SEMICONDUCTOR NANOPARTICLES, COLOR FILTER, AND IMAGE DISPLAY DEVICE 三菱ケミカル株式会社 2022-03-03 WO disclosed
WO-2022044759-A1 COMPOSITION CONTAINING SEMICONDUCTOR NANOPARTICLES, COLOR FILTER, AND IMAGE DISPLAY DEVICE 三菱ケミカル株式会社 2022-03-03 WO disclosed
CN-107250114-B Sulfonic acid derivative compound, photoacid generator, resist composition, cationic polymerization initiator, and cationically polymerizable composition 株式会社ADEKA 2020-11-06 CN disclosed
US-10718778-B2 Compositions and methods for detecting protein sulfenylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-21 US disclosed
EP-3272737-B1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION ADEKA CORP (JP) 2019-07-24 EP disclosed
US-20180079724-A1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2018-03-22 US disclosed
EP-3272737-A1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION Adeka Corporation (JP) 2018-01-24 EP disclosed
US-20170192010-A1 COMPOSITIONS AND METHODS FOR DETECTING PROTEIN SULFENYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 US disclosed
WO-2015184281-A2 COMPOSITIONS AND METHODS FOR DETECTING PROTEIN SULFENYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-03 WO disclosed
EP-2617578-B1 HEAT-SENSITIVE CHROMOGENIC COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL FORMED USING SAID COMPOSITION YAMAMOTO CHEMICALS INC (JP) 2015-02-25 EP disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
EP-0984942-B1 LIQUID BENZ-ISO-QUINOLINE DERIVATIVES UNITED COLOR MFG INC (US) 2003-09-10 EP disclosed
EP-0984942-A1 LIQUID BENZ-ISO-QUINOLINE DERIVATIVES United Color Manufacturing Inc. (US) 2000-03-15 EP disclosed
US-5858930-A Liquid Benz-iso-Quinoline derivatives UNITED COLOR MANUFACTURING, INC. (US) 1999-01-12 US disclosed
WO-1998054150-A1 LIQUID BENZ-ISO-QUINOLINE DERIVATIVES UNITED COLOR MANUFACTURING, INC. (US) 1998-12-03 WO disclosed
EP-0681582-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PHARMACIA & UPJOHN COMPANY (US) 1995-11-15 EP disclosed
US-5466805-A Perinone dyestuffs for bulk dyeing of plastics BAYER AKTIENGESELLSCHAFT (DE) 1995-11-14 US disclosed
US-4582910-A Method for preparation of 4-halogenonaphthalic acid anhydrides RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1986-04-15 US disclosed
US-4200752-A FLUORESCENT DYES BERTELSON ROBERT C 1980-04-29 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 (3 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-20170192010-A1 COMPOSITIONS AND METHODS FOR DETECTING PROTEIN SULFENYLATION PTMS, QSOX1, PRDX3 ALDH1A1 2848/4885HSD17B10 3140/4885HIF1A 1668/4885
US-10718778-B2 Compositions and methods for detecting protein sulfenylation PTMS, QSOX1, PRDX3 ALDH1A1 3028/4885HSD17B10 2945/4885HIF1A 1774/4885
US-20180079724-A1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION ALAD, ADSL, ACSL3 ALDH1A1 352/4885HSD17B10 963/4885HIF1A 562/4885

“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.