SCHEMBL608940

SCHEMBL608940

[c]1cc[c]c(-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 1/20 0.30

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
SCHEMBL5181811 0.77 ACHE (0.35) ALDH1A1CYP2A6
SCHEMBL5047733 0.76 ALDH1A1 (0.47) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL41140 0.72 ALDH1A1 (0.42) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL26516 0.72 ALDH1A1 (0.42) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL3634599 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL38202 0.72 ALDH1A1 (0.42) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL17350220 0.71 CYP2A6 (0.40) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL28544762 0.70 ALDH1A1 (0.40) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL27605794 0.70 ALDH1A1 (0.40) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL18221911 0.70 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111276617-B Organic electroluminescent device 固安鼎材科技有限公司 2024-01-02 CN claimed
EP-3674381-A1 ORGANIC OPTICAL MATERIAL Japan Science and Technology Agency (JP) 2020-07-01 EP claimed
CN-111276617-A Organic electroluminescent device 固安鼎材科技有限公司 2020-06-12 CN claimed
CN-110857297-A Organic compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2020-03-03 CN claimed
EP-1311612-B1 REACTOR ALLOY OF SYNDIOTACTIC POLYSTYRENE HAVING HIGH IMPACT RESISTANCE SAMSUNG ATOFINA CO LTD (KR) 2007-02-28 EP claimed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
EP-0773248-B1 Polymers with heterocyclic side groups MISSISSIPPI POLYMER TECHNOLOGI (US) 2002-10-02 EP claimed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP claimed
EP-0890615-B1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-03 EP claimed
EP-0890595-B1 High temperature self-crosslinking polyesters DAINIPPON INK & CHEMICALS (JP) 2000-02-02 EP claimed
EP-0773248-A1 Polymers with heterocyclic side groups MAXDEM INCORPORATED (US) 1997-05-14 EP claimed
US-5488093-A Stiff-chain polyesters and a method of preparing them DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-01-30 US claimed
US-5066695-A Plastics; heat resistance, dispersibility CIBA-GEIGY CORPORATION (US) 1991-11-19 US claimed
US-4999416-A Polylactones, coplymers, melt processability NIPPON OIL COMPANY, LIMITED (JP) 1991-03-12 US claimed
US-4990681-A Method for removing hydrogen fluoride from mixtures comprising aromatic ketones HNA HOLDINGS, INC. 1991-02-05 US claimed
EP-0380286-A2 Wholly aromatic polyesters NIPPON OIL CO. LTD. (JP) 1990-08-01 EP claimed
CN-1039601-A Polyhydroxypolyether, and manufacture method thereof and purposes MITSUI PETROCHEMICAL IND (JP) 1990-02-14 CN claimed
EP-0349648-A1 POLYHYDROXY POLYETHERS, PROCESS FOR THEIR PRODUCTION AND THEIR USES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-01-10 EP claimed
WO-1989007121-A1 IMPROVED RUBBER COMPOUND FOR TRACKED VEHICLE TRACK PADS UNITED STATES OF AMERICA, REPRESENTED BY THE SECRE (US) 1989-08-10 WO claimed
US-4158670-A QUATERNARY AMMONIUM OR PHOSPHONIUM PHASE TRANSFER AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-06-19 US claimed

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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF ALDH1A1 950/4885CYP2E1 239/4885CYP2A6 1132/4885

“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.