SCHEMBL936645

SCHEMBL936645

CCc1cccc(C(=O)O)c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.61
▸ GABRB2 P47870 2/20 0.61
▸ CLCN2 P51788 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.44
▸ HMGB1 P09429 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ FOLH1 Q04609 2/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL5696553 0.84 GABRA1 (0.61) GABRA1GABRB2CLCN2ALDH1A1KDM4E
SCHEMBL625116 0.84 NR4A1 (0.48) GABRA1GABRB2CLCN2ALDH1A1HMGB1
SCHEMBL4377020 0.84 ALDH1A1 (0.44) GABRA1GABRB2CLCN2ALDH1A1HMGB1
SCHEMBL27747091 0.84 BID (0.49) GABRA1GABRB2CLCN2HMGB1ALOX15
SCHEMBL6828930 0.83 ALDH1A1 (0.48) GABRA1GABRB2CLCN2ALDH1A1HMGB1
SCHEMBL28551512 0.82 HMGB1 (0.43) GABRA1GABRB2CLCN2ALDH1A1HMGB1
SCHEMBL27598816 0.82 GABRA1 (0.59) GABRA1GABRB2CLCN2ALDH1A1HTT
SCHEMBL16416766 0.82 HMGB1 (0.51) GABRA1GABRB2CLCN2ALDH1A1HMGB1
SCHEMBL28204006 0.82 GABRA1 (0.59) GABRA1GABRB2CLCN2ALDH1A1KDM4E
SCHEMBL21121083 0.82 MGLL (0.46) GABRA1GABRB2CLCN2ALDH1A1HMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805337-B1 INK COMPOSITIONS AND QUANTUM DOT POLYMER COMPOSITE PATTERN PREPARED FROM THE SAME SAMSUNG DISPLAY CO LTD (KR) 2023-08-09 — — EP disclosed
US-11248139-B2 Ink compositions and quantum dot polymer composite pattern prepared from the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-15 — — US disclosed
EP-3805337-A1 INK COMPOSITIONS AND QUANTUM DOT POLYMER COMPOSITE PATTERN PREPARED FROM THE SAME Samsung Display Co., Ltd. (KR) 2021-04-14 — — EP disclosed
US-20210102084-A1 INK COMPOSITIONS AND QUANTUM DOT POLYMER COMPOSITE PATTERN PREPARED FROM THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-04-08 — — US disclosed
EP-1718682-B1 PREPARATION METHOD OF SOLID TITANIUM CATALYST FOR OLEFIN POLYMERIZATION HANWHA TOTAL PETROCHEMICAL CO LTD (KR) 2019-03-27 — — EP disclosed
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 — — EP disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 — — US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 — — US disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 — — EP disclosed
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 — — WO disclosed
WO-1996039374-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-12-12 — — WO disclosed
US-5374615-A Treating hypertension and congestive heart failure, preventing cardiac hypertrophy E. R. SQUIBB & SONS, INC. (US) 1994-12-20 — — US disclosed
EP-0488532-A1 Indole- and benzimidazole-substituted imidazole and benzimidazole derivatives E.R. Squibb & Sons, Inc. (US) 1992-06-03 — — EP disclosed
US-4873278-A Inhibition of irradiation yellowing in polysulfone compositions GENERAL ELECTRIC COMPANY (US) 1989-10-10 — — US disclosed
US-4303766-A SULFONATION OF ELASTOMERS, FRIEDEL-CRAFTS OR COORDINATION CATALYST, ACYL SULFATE, QUENCHING, NEUTRALIZATION EXXON RESEARCH & ENGINEERING CO. (US) 1981-12-01 — — US disclosed
EP-0002354-B1 A PROCESS FOR SULPHONATING ELASTOMERIC POLYMERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-05-20 — — EP disclosed
US-4193901-A WITH A MIXTURE OF A SULFUR TRIOXIDE-LEWIS BASE COMPLEX AND A CARBOXYLIC ANHYDRIDE OR ACYL HALIDE EXXON RESEARCH & ENGINEERING CO. (US) 1980-03-18 — — US disclosed
US-4162241-A NEUTRALIZED SULFONATED BUTYL RUBBER OR DIENE-ETHYLENE-PROPYLENE TERPOLYMER EXXON RESEARCH & ENGINEERING CO. (US) 1979-07-24 — — US disclosed
EP-0002354-A1 A process for sulphonating elastomeric polymers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1979-06-13 — — EP disclosed
US-4105647-A SOLUTION POLYMERIZATION USING A FRIEDEL-CRAFTS OF ZIEGLER-TYPE CATALYST EXXON RESEARCH & ENGINEERING CO. (US) 1978-08-08 — — 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 GABRA1 167/4885GABRB2 136/4885CLCN2 1387/4885

“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.

Send feedback