SCHEMBL774118

SCHEMBL774118

Oc1cccc2cc(Br)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.59
HSD17B1 P14061 8/20 0.55
HSD17B2 P37059 8/20 0.55
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
CYP1A2 P05177 1/20 0.54
ERN1 O75460 1/20 0.50
CYP2A6 P11509 1/20 0.48
AR P10275 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NQO2 P16083 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 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
Phenol SCHEMBL27729028 0.91 HSD17B1 (0.56) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL18529228 0.83 CYP2A6 (0.45) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL30872049 0.83 CTDSP1 (0.59) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL3982743 0.83 CTDSP1 (0.59) PLAUHSD17B1HSD17B2ESR1ESR2
Mequinol SCHEMBL5528621 0.82 ESR2 (0.51) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL29364213 0.77 HSD17B1 (0.70) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL29738652 0.77 HSD17B1 (0.70) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL444105 0.77 HSD17B1 (0.84) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL15451 0.77 HSD17B1 (0.70) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL30457989 0.77 CYP2A6 (0.52) PLAUESR1ESR2CYP1A2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116135848-A Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-05-19 CN claimed
US-7211414-B2 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity VISIGEN BIOTECHNOLOGIES, INC. (US) 2007-05-01 US claimed
US-4588833-A CARBON MONOXIDE, ALCOHOL OR AMINE, ACID, UNSATURATED AMIDE, COBALTCOMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US claimed
EP-0143303-A2 Process for the preparation of substituted succinic-acid amides BAYER AG (DE) 1985-06-05 EP claimed
US-20260078111-A1 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2026-03-19 US disclosed
EP-4630401-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF Rutgers, the State University of New Jersey (US) 2025-10-15 EP disclosed
CN-119874527-A Depsipeptide derivative, preparation method and application thereof 常州工业职业技术学院 2025-04-25 CN disclosed
CN-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 CN disclosed
WO-2024124023-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-06-13 WO disclosed
EP-4358948-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-05-01 EP disclosed
CN-117865925-A 3, 4-benzocoumarin compound based on complex functional aromatic hydrocarbon and preparation method and application thereof 上海瑞苷生物科技有限公司 2024-04-12 CN disclosed
CN-116135848-B Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-03-12 CN disclosed
US-4209593-A Semi-flexible shock-absorbing polyurethane foam prepared from a triol, a compound having a single reactive hydrogen, an aromatic polyisocyanate, blowing agent, chain-extender and a catalyst UNIROYAL LTD. (CA) 1980-06-24 US disclosed
EP-0010842-A1 Polyurethane foam and method of preparation thereof UNIROYAL LTD. (CA) 1980-05-14 EP disclosed
US-4061642-A AZO DYE INTERMEDIATES CASSELLA FARBWERKE MAINKUR AG (DT) 1977-12-06 US disclosed
US-3980659-A INSECTICIDES, INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3956294-A AZO DYES, PESTICIDES, ANALEPTICS, ANALGESICS, DIURETICS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3954782-A 2,6-Hydrazino-3-pyridine carboxyamides CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US disclosed
US-3946024-A INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-23 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-20260078111-A1 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF CA6, CA9, CA7 PLAU 2040/4885HSD17B1 68/4885HSD17B2 167/4885

“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.