SCHEMBL102473

SCHEMBL102473

Cc1cccc(C)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 2/20 0.52
CYP2A6 P11509 2/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
NRP1 O14786 1/20 0.37

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
Ethane SCHEMBL2154002 0.97 CYP1A2 (0.57) CYP1A2CYP2C19TSHRCYP2A6ACHE
SCHEMBL28349620 0.97 CYP1A2 (0.57) CYP1A2CYP2C19TSHRCYP2A6ACHE
SCHEMBL2154900 0.88 CYP1A2 (0.50) CYP1A2CYP2C19TSHRALDH1A1MAPT
SCHEMBL17796263 0.85 CYP1A2 (0.52) CYP1A2CYP2C19TSHRCYP2A6ACHE
SCHEMBL1003690 0.85 TSHR (0.62) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1
SCHEMBL30485186 0.85 TSHR (0.62) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1
Aniline SCHEMBL28030200 0.84 CYP1A2 (0.47) CYP1A2CYP2C19TSHRALDH1A1MAPT
SCHEMBL103444 0.83 CYP1A2 (0.50) CYP1A2CYP2C19TSHRALDH1A1MAPT
SCHEMBL1143074 0.83 CD44 (0.50) CYP1A2CYP2C19TSHRALDH1A1LMNA
SCHEMBL11876975 0.83 CYP1A2 (0.50) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-117088917-A Five-membered and six-membered ring metal platinum complex with high anti-tumor activity, and preparation method and application thereof 海南师范大学 2023-11-21 CN claimed
US-12364966-B2 Compositions and methods for monitoring gas adsorption ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2025-07-22 US disclosed
WO-2025124459-A1 TRICYCLIC FUSED HETEROCYCLIC PDE3/4 DUAL INHIBITOR, AND PREPARATION AND USE THEREFOR 石家庄以岭药业股份有限公司 2025-06-19 WO disclosed
CN-120136868-A Tricyclic fused heterocyclic PDE3/4 dual inhibitor and preparation method and application thereof 石家庄以岭药业股份有限公司 2025-06-13 CN disclosed
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-04-24 US disclosed
CN-119866352-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 日本化药株式会社 2025-04-22 CN disclosed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
WO-2025026270-A1 BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-02-06 WO disclosed
CN-117529509-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2025-01-10 CN disclosed
CN-119119229-A Unnatural amino acids and their use as probes 北京大学 2024-12-13 CN disclosed
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 WO disclosed
EP-0899255-A2 Fungicidal 2,6,6'-trimethylbenzophenones American Cyanamid Company (US) 1999-03-03 EP disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed
US-4298748-A Preparation of 2-imidazolines BASF AKTIENGESELLSCHAFT (DE) 1981-11-03 US disclosed
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 US disclosed
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-3931276-A 2-Chloro-trichloro-benzonitriles BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO CYP1A2 253/4885CYP2C19 68/4885TSHR 1853/4885

“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.