SCHEMBL718880

SCHEMBL718880

Cc1cc(O)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
AR P10275 3/20 0.46
ESR2 Q92731 8/20 0.42
ESR1 P03372 6/20 0.42
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
MIF P14174 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL2785589 0.84 AR (0.57) TSHRARESR2ESR1
SCHEMBL805064 0.82 TSHR (0.48) TSHRARESR2ESR1CA9
SCHEMBL17679937 0.79 CA2 (0.50) ARESR2ESR1CA9CA12
SCHEMBL29473510 0.78 CA9 (0.46) ARESR2ESR1CA9CA12
SCHEMBL1697195 0.78 CA9 (0.46) ARESR2ESR1CA9CA12
SCHEMBL14173238 0.78 CA12 (0.44) TSHRARESR2ESR1CA9
SCHEMBL12287630 0.77 CYP3A4 (0.41) TSHRARESR2ESR1CYP3A4
SCHEMBL14173712 0.77 AR (0.50) ARESR2ESR1
SCHEMBL277588 0.76 TSHR (0.52) TSHRARALOX15
SCHEMBL1267080 0.76 ESR2 (0.44) ARESR2ESR1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137680-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LTD (GB) 2026-05-21 US disclosed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
US-12428370-B2 Haloallylamine dual amine oxidase inhibitors SYNTARA LIMITED (AU) 2025-09-30 US disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
CN-119968366-A Oxadiazole derivatives, methods of preparation and use thereof in the treatment of inflammatory diseases 西特瑞治疗有限公司 2025-05-09 CN disclosed
EP-4543875-A1 OXADIAZOLE DERIVATIVES, PREPARATION PROCESS THEREOF AND THEIR USE IN TREATING INFLAMMATORY DISEASES Sitryx Therapeutics Limited (GB) 2025-04-30 EP disclosed
CN-115916337-B Halogenated allylamine bis amine oxidase inhibitors 法玛西斯有限公司 2025-04-15 CN disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed
US-6730241-B2 ACRYLATED POLYESTERS DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-05-04 US disclosed
US-20030025104-A1 Polymerizable composition showing liquid-crystal phase and optically anisotropic object made with the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-02-06 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
CN-1358167-A Polymerizable composition exhibiting liquid crystal phase and optically anisotropic body using same DAINIPPON INK & CHEMICALS (JP) 2002-07-10 CN disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1174412-A1 POLYMERIZABLE COMPOSITION SHOWING LIQUID-CRYSTAL PHASE AND OPTICALLY ANISOTROPIC OBJECT MADE WITH THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-23 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4031232-A 1-Alkyl-2-(phenoxymethyl)-5-nitro-imidazoles and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-21 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 (4 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-20260137680-A1 NOVEL COMPOUNDS CCR1, CCR4, CCR3 TSHR 3430/4885AR 2287/4885ESR2 3478/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 TSHR 2521/4885AR 1936/4885ESR2 1542/4885
US-12428370-B2 Haloallylamine dual amine oxidase inhibitors AOC2, AOC3, AOC1 TSHR 2376/4885AR 4435/4885ESR2 4111/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 TSHR 2521/4885AR 1936/4885ESR2 1542/4885

“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.