SCHEMBL95663

SCHEMBL95663

CN(c1ccccc1)c1ccc(C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.61
CYP2A13 Q16696 1/20 0.61
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 2/20 0.56
S1PR4 O95977 1/20 0.56
HSP90AA1 P07900 1/20 0.56
S1PR1 P21453 1/20 0.56
CCR6 P51684 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TLR9 Q9NR96 1/20 0.56
ALDH3A1 P30838 1/20 0.52
ALDH1A3 P47895 1/20 0.52
NR3C2 P08235 1/20 0.47
RELA Q04206 2/20 0.47
GFER P55789 1/20 0.46

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
SCHEMBL8189337 0.91 CYP2A6 (0.73) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
Benzaldehyde SCHEMBL28191631 0.83 CYP2A6 (0.83) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL11843859 0.83 CYP2A6 (0.70) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL28032989 0.82 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL851178 0.82 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL2199745 0.82 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL181026 0.82 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL13649928 0.82 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL7693616 0.82 CYP2A6 (0.73) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL18002478 0.82 ALDH1A1 (0.48) CYP2A6CYP2A13ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3197396-A None JP disclosed
US-20250011264-A1 CYCLIC COMPOUND AND METHOD FOR PRODUCING CYCLIC COMPOUND SUMITOMO BAKELITE CO., LTD. (JP) 2025-01-09 US disclosed
EP-4434960-A1 CYCLIC COMPOUND AND METHOD FOR PRODUCING CYCLIC COMPOUND Sumitomo Bakelite Co., Ltd. (JP) 2024-09-25 EP disclosed
CN-118265685-A Cyclic compound and method for producing cyclic compound 住友电木株式会社 2024-06-28 CN disclosed
WO-2023090298-A1 CYCLIC COMPOUND AND METHOD FOR PRODUCING CYCLIC COMPOUND 住友ベークライト株式会社 2023-05-25 WO disclosed
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 EP disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 US disclosed
EP-3184448-B1 MULTILAYER PLASTIC CONTAINER MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-03 EP disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 US disclosed
US-4548689-A RADICAL POLYMERIZABLE MONOMER, KETOCARBONYL COMPOUND AND MERCAPTOB MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0074569-B1 CATIONIC METHINE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE, IN DYEING TEXTILE MATERIALS AND OTHER SUBSTRATES BAYER AG (DE) 1985-06-19 EP disclosed
US-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
EP-0136186-A2 Photocurable resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
EP-0023991-B1 STYRYL DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING PAPER IN PARTICULAR BAYER AG (DE) 1983-07-27 EP disclosed
EP-0074569-A2 Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates BAYER AG (DE) 1983-03-23 EP disclosed
US-4322487-A Composite electrically photosensitive particles for electrophoretic migration imaging process EASTMAN KODAK COMPANY (US) 1982-03-30 US disclosed
EP-0023991-A1 Styryl dyestuffs, their preparation and their use in dyeing paper in particular BAYER AG (DE) 1981-02-18 EP disclosed
US-4110070-A QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE HODOGAYA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 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 (3 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-10662174-B2 BTK inhibitor BTK, SYK, LYN CYP2A6 3840/4885CYP2A13 3180/4885ALDH1A1 4122/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN CYP2A6 3840/4885CYP2A13 3180/4885ALDH1A1 4122/4885
US-20250011264-A1 CYCLIC COMPOUND AND METHOD FOR PRODUCING CYCLIC COMPOUND CA1, ASIC1, CA7 CYP2A6 1236/4885CYP2A13 1771/4885ALDH1A1 1024/4885

“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.