SCHEMBL98097

SCHEMBL98097

Cc1ccc(C=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.52
ALDH1A1 P00352 8/20 0.52
ALDH1A3 P47895 2/20 0.52
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS2 P35354 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TUBB1 Q9H4B7 3/20 0.42
AOX1 Q06278 1/20 0.42
TRIM24 O15164 1/20 0.42
HPGD P15428 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
TYR P14679 1/20 0.41
CYP2A13 Q16696 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL29350085 1.00 CYP2A6 (0.52) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
Hydrazine SCHEMBL27345905 0.95 ALDH1A1 (0.48) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
O-Xylene SCHEMBL7770810 0.93 ALDH1A1 (0.48) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
Alcohol SCHEMBL28361987 0.89 ALDH1A1 (0.44) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
Hexane SCHEMBL28362010 0.87 ALDH1A1 (0.43) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL28828021 0.82 CYP2A6 (0.47) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL3456595 0.81 CYP2A6 (0.50) CYP2A6ALDH1A1ALDH1A3TSHRTDP1
SCHEMBL823127 0.80 ALDH1A1 (0.50) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL12216402 0.80 TUBB1 (0.40) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL154851 0.80 ALDH1A3 (0.53) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E

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

Appears in 2270 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680020-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2026-01-21 EP claimed
WO-2024189207-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2024-09-19 WO claimed
CN-118325204-A Low-temperature-rise rubber and carbon black composition and preparation method thereof 华南理工大学 2024-07-12 CN claimed
CN-118271160-A Preparation method of 3, 4-dimethylbenzaldehyde 吉林普瑞特生物科技有限公司 2024-07-02 CN claimed
CN-117946359-A Low-toxicity polyurethane latent curing agent, low-toxicity single-component polyurethane waterproof coating and preparation method 北京东方雨虹防水技术股份有限公司 2024-04-30 CN claimed
CN-117801959-A Naganishia globosa strain 212 and application, product and method thereof 宁夏农产品质量标准与检测技术研究所(宁夏农产品质量监测中心) 2024-04-02 CN claimed
CN-117720407-A Waste residue treatment method 湖北新南化科技有限公司 2024-03-19 CN claimed
CN-114315852-B Method for preparing 3, 4-dimethylbenzylidene sorbitol with zero byproduct 营口风光新材料股份有限公司 2024-03-12 CN claimed
CN-117683664-A Aroma-producing bacteria and application thereof 江苏科技大学 2024-03-12 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
WO-1985000521-A1 ENZYME DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1985-02-14 WO claimed
US-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 US claimed
EP-0046397-B1 PROCESS FOR PRODUCING TRIMELLITIC ACID OR PYROMELLITIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-04-25 EP claimed
EP-0083224-A1 Process for producing aromatic polycarboxylic acid with high purity MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-07-06 EP 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-4368336-A CATALYST SELECTIVE FORMYLATION OF META AND ORTHO ISOMERS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-01-11 US claimed
US-4346232-A CATALYTIC OXIDATION OF POLYALKYL-SUBSTITUTED AROMATIC ALDEHYDE OR ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-08-24 US claimed
EP-0046397-A1 Process for producing trimellitic acid or pyromellitic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-02-24 EP 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