SCHEMBL280640

SCHEMBL280640

Cc1cc(C)cc(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.52
ERN1 O75460 2/20 0.46
ALDH1A1 P00352 7/20 0.40
TSHR P16473 4/20 0.40
SRC P12931 2/20 0.40
TPMT P51580 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TYR P14679 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL28065211 0.97 CYP2A6 (0.50) CYP2A6ERN1ALDH1A1TSHRSRC
SCHEMBL3129625 0.94 CYP2A6 (0.52) CYP2A6ERN1ALDH1A1TSHRSRC
SCHEMBL6009914 0.87 ALDH1A1 (0.57) CYP2A6ERN1ALDH1A1TSHRSRC
SCHEMBL29958069 0.87 ALDH1A1 (0.57) CYP2A6ERN1ALDH1A1TSHRSRC
SCHEMBL28950896 0.85 CYP2A6 (0.74) CYP2A6ERN1ALDH1A1TSHRTYR
SCHEMBL23656403 0.82 CYP2A6 (0.42) CYP2A6ERN1ALDH1A1TSHRSRC
SCHEMBL2011005 0.82 CYP2A6 (0.42) CYP2A6ERN1ALDH1A1SRCTYR
SCHEMBL698784 0.82 CYP2A6 (0.42) CYP2A6ERN1ALDH1A1SRC
SCHEMBL1619002 0.82 ALDH1A1 (0.55) CYP2A6ERN1ALDH1A1SRCTDP1
SCHEMBL17663615 0.82 CYP2A6 (0.42) CYP2A6ERN1ALDH1A1TSHRSRC

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 1666 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039704-B Preparation method of transparent polypropylene 湖北新南化科技有限公司 2025-06-13 CN claimed
US-12295388-B2 Methods of modulating gastrointestinal metabolites DSM IP ASSETS B.V. (NL) 2025-05-13 US claimed
CN-119391150-B Method for preparing flame-retardant wear-resistant plastic plate by regenerating waste plastic 安徽冠泓塑业有限公司 2025-04-29 CN claimed
CN-119841875-A Preparation of resveratrol derivative based on ferrocene skeleton 天津中医药大学 2025-04-18 CN claimed
CN-119708349-A High-molecular polymer dispersing agent and preparation method and application thereof 上海宇昂水性新材料科技股份有限公司 2025-03-28 CN claimed
CN-116425737-B Fluorescent molecular probe for detecting hydroxyl free radicals and preparation method and application thereof 湖南超亟检测技术有限责任公司 2025-03-25 CN claimed
CN-119219504-B Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2025-03-14 CN claimed
CN-119219504-A Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2024-12-31 CN claimed
CN-119039704-A Preparation method of transparent polypropylene 湖北新南化科技有限公司 2024-11-29 CN claimed
CN-118932369-A Ordered membrane electrode based on ultrathin alkaline membrane and preparation method thereof 南京大全中科氢能源科技有限公司 2024-11-12 CN claimed
EP-0343182-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS, THEIR PRODUCTION AND THEIR USE AS AROMATICS. CONSORTIUM ELEKTROCHEM IND (DE) 1989-11-29 EP claimed
US-4766128-A Optionally 11- to 13-substituted ergoline compounds useful as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-23 US claimed
WO-1988005770-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS THEIR PRODUCTION AND THEIR USE AS AROMATICS Consortium für elektrochemische Industrie GmbH (DE) 1988-08-11 WO claimed
EP-0083224-B1 PROCESS FOR PRODUCING AROMATIC POLYCARBOXYLIC ACID WITH HIGH PURITY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1987-05-27 EP claimed
US-4585900-A COPPER ACTIVATED YTTRIUM OXIDE CHEM SYSTEMS INC. (US) 1986-04-29 US claimed
US-4585899-A MANGANESE DIOXIDE CHEM SYSTEMS INC. (US) 1986-04-29 US claimed
US-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 US claimed
US-4380629-A Styryl-like compounds showing a color-developing and bleaching behavior with improved stability and prolonged lifetime MATSUSHITA ELECTRIC INDUSTRIAL COMPANY, LIMITED (JP) 1983-04-19 US claimed
US-4147862-A Method of preparing styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-04-03 US claimed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US claimed