SCHEMBL91813

SCHEMBL91813

Cc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.84
ALDH1A1 P00352 1/20 0.84
MMP3 P08254 1/20 0.58
KIF11 P52732 2/20 0.58
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CYP11B2 P19099 4/20 0.47
CYP11B1 P15538 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
MAPKAPK2 P49137 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA14 Q9ULX7 1/20 0.46
AR P10275 2/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
Water SCHEMBL28512959 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1MMP3KIF11CA12
SCHEMBL12377032 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1MMP3KIF11CA12
SCHEMBL27329500 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1MMP3KIF11CA12
P-Xylene SCHEMBL3926102 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1MMP3KIF11CA12
SCHEMBL46818 0.92
SCHEMBL28089251 0.89 CYP2A6 (0.94) CYP2A6ALDH1A1MMP3KIF11CA12
SCHEMBL31070291 0.87 ALDH1A1 (0.64) CYP2A6ALDH1A1MMP3KIF11AR
Cyanide SCHEMBL6561699 0.86 CYP2A6 (0.89) CYP2A6ALDH1A1MMP3KIF11CA12
Water SCHEMBL11055485 0.86 MMP3 (0.74) CYP2A6ALDH1A1MMP3KIF11CA12
SCHEMBL396846 0.86 MMP3 (0.74) CYP2A6ALDH1A1MMP3KIF11CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001042197-A1 METHOD FOR PREPARING A POLYAROMATIC COMPOUND RHODIA CHIMIE (FR) 2001-06-14 WO claimed
JP-7002805-A None JP disclosed
US-20250242338-A1 IRON PHOSPHIDE NANOPARTICLES, AND COMPOSITE BODY AND REDUCTION CATALYST EACH CONTAINING SAME OSAKA UNIVERSITY (JP) 2025-07-31 US disclosed
EP-4509462-A1 IRON PHOSPHIDE NANOPARTICLES, AND COMPOSITE BODY AND REDUCTION CATALYST EACH CONTAINING SAME OSAKA UNIVERSITY (JP) 2025-02-19 EP disclosed
US-20250011590-A1 OPTICAL FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2025-01-09 US disclosed
CN-119053551-A Nano iron phosphide particles, composite containing nano iron phosphide particles and reduction catalyst 国立大学法人大阪大学 2024-11-29 CN disclosed
EP-4431989-A1 OPTICAL FILM AND POLARIZING PLATE Tosoh Corporation (JP) 2024-09-18 EP disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
CN-115745833-B Preparation method of 4-alkyl-4' -cyanobiphenyl 宁夏中星显示材料有限公司 2024-07-05 CN disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
WO-1997030970-A1 METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1997-08-28 WO disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
JP-H072805-A PRODUCTION OF 5-((1,1'-BIPHENYL)-1H-TETRAZOLES TOYO KASEI KOGYO CO LTD 1995-01-06 JP disclosed
EP-0405389-B1 Process for producing an aromatic compound MITSUBISHI CHEM IND (JP) 1995-01-04 EP disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed
US-5159082-A Catalytic coupling of an aromatic sulfinic acid with an aromatic halogen compound MITSUBISHI KASEI CORPORATION (JP) 1992-10-27 US disclosed
EP-0405389-A1 Process for producing an aromatic compound Mitsubishi Chemical Corporation (JP) 1991-01-02 EP 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-20250242338-A1 IRON PHOSPHIDE NANOPARTICLES, AND COMPOSITE BODY AND REDUCTION CATALYST EACH CONTAINING SAME FECH, PI4K2A, PHOSPHO1 CYP2A6 4254/4885ALDH1A1 4269/4885MMP3 4687/4885

“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.