SCHEMBL268706

SCHEMBL268706

Cc1ccc(C)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.52
SRC P12931 2/20 0.50
ERN1 O75460 2/20 0.50
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP2A6 P11509 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
P-Xylene SCHEMBL7770805 0.98 ALDH1A1 (0.50) ALDH1A1TSHRSRCERN1ALOX5
SCHEMBL28109967 0.98 ALDH1A1 (0.50) ALDH1A1TSHRSRCERN1ALOX5
Formic Acid SCHEMBL27802327 0.93 SRC (0.50) ALDH1A1TSHRSRCERN1ALOX5
SCHEMBL8434668 0.91 ALDH1A1 (0.50) ALDH1A1TSHRSRCERN1ALOX5
Phenol SCHEMBL3674570 0.84 ALDH1A1 (0.48) ALDH1A1TSHRSRCERN1ALOX5
SCHEMBL2888296 0.82 ERN1 (0.52) ALDH1A1TSHRSRCERN1CYP2A6
SCHEMBL27570273 0.80 CYP2A6 (0.42) ALDH1A1TSHRSRCERN1ALOX5
SCHEMBL29437223 0.80 ALDH1A1 (0.52) ALDH1A1TSHRSRCERN1CYP2A6
SCHEMBL95501 0.80 ALDH1A1 (0.52) ALDH1A1TSHRSRCERN1CYP2A6
SCHEMBL5252720 0.79 ALOX5 (0.50) ALDH1A1ALOX5PTGS1PTGS2CYP2A6

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 1258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-12234384-B2 Adhesion-improving composition for textile material and associated reinforcing textile material PORCHER INDUSTRIES (FR) 2025-02-25 US claimed
CN-119044350-A Method for detecting 25 aldehyde ketone compounds in automotive interior material and parts 上海华测品正检测技术有限公司 2024-11-29 CN claimed
CN-118969118-A Method for identifying wide orange peel aging time based on machine learning model 华中农业大学 2024-11-15 CN claimed
CN-115856164-B Method for simultaneously measuring 15 volatile organic compounds in water 广电计量检测(合肥)有限公司 2024-11-15 CN claimed
US-12090479-B2 Method for detecting aldehydes or ketones LG CHEM, LTD. (KR) 2024-09-17 US claimed
CN-115541736-B High performance liquid chromatography analysis method for detecting 18 aldehyde ketone compounds 江阴秋毫检测有限公司 2024-07-23 CN claimed
CN-117855306-A Back sheet of solar cell and manufacturing method thereof 南亚塑胶工业股份有限公司 2024-04-09 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-112857925-B Method for collecting and analyzing aldehyde ketone substances in biological gas sample and device thereof 暨南大学 2023-09-12 CN claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US claimed
EP-0046397-B1 PROCESS FOR PRODUCING TRIMELLITIC ACID OR PYROMELLITIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-04-25 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
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-3976702-A OXIDATION OF ALKYL-AROMATIC ALDEHYDES WITH HYDROGEN PEROXIDE IN HYDROGEN FLUORIDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1976-08-24 US claimed