SCHEMBL361379

SCHEMBL361379

CCc1cc(I)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRA P18433 1/20 0.43

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
Benzoic Acid SCHEMBL6757121 0.90 KDM4E (0.47) TPMTSGK1CAMKK2DCLRE1ADCLRE1B
SCHEMBL16831460 0.84 PTPRC (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29907920 0.83 CA12 (0.47) CYP1A2KDM4EALDH1A1MEN1KMT2A
SCHEMBL8193407 0.83 PPARA (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25342808 0.82 PTPRC (0.42) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL18038517 0.82 MAP2K2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23486432 0.82 SGK1 (0.44) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL3386626 0.81 PPARA (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28795337 0.79 ALDH1A1 (0.45) KDM4EALDH1A1KMT2ASMN1; SMN2CA12
SCHEMBL5576093 0.79 PTPRC (0.40) GABRA1GABRB2PTPRCPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 US disclosed
WO-2022235875-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SαAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-11-10 WO disclosed
EP-2655382-B1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2022-09-28 EP disclosed
CN-115052855-A Preparation method of amide compound, crystal form and salt thereof 昊运股份有限公司 2022-09-13 CN disclosed
EP-3368529-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-04-06 EP disclosed
US-10750746-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-08-25 US disclosed
US-10399961-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-03 US disclosed
US-20190116797-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) UNIV FLORIDA (US) 2019-04-25 US disclosed
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-03-26 US disclosed
US-10174042-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) STC.UNM (US) 2019-01-08 US disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US disclosed
US-5162546-A ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-11-10 US disclosed
WO-1992006084-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-04-16 WO disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
EP-0419131-A2 Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
US-4980369-A ANTIARTHRITIC AGENTS, SKIN DISORDERS, ANTIULCER AGENTS, WOUND HEALING AGENTS ALLERGAN, INC. (US) 1990-12-25 US disclosed
US-4017543-A ANTIARRHYTHMIA MERCK & CO., INC. (US) 1977-04-12 US disclosed
US-3957871-A ANTIARRHYTHMIA AGENTS, UNSATURATED AROMATIC AMINES MERCK & CO., INC. (US) 1976-05-18 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 (6 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-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same OXA1L, BECN1, MAP1LC3A GABRP 379/4885GABRD 162/4885GABRA1 146/4885
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC GABRP 4196/4885GABRD 4277/4885GABRA1 3976/4885
US-10174042-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) PGLS, POLI, PARN GABRP 2716/4885GABRD 2779/4885GABRA1 3257/4885
US-20190116797-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) PGLS, POLI, PARN GABRP 2746/4885GABRD 2753/4885GABRA1 3250/4885
US-10399961-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 GABRP 4433/4885GABRD 4342/4885GABRA1 4022/4885
US-10750746-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) PGLS, POLI, PARN GABRP 2716/4885GABRD 2779/4885GABRA1 3257/4885

“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.