SCHEMBL323096

SCHEMBL323096

Cc1cc(C)cc(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 8/20 0.52
ACHE P22303 2/20 0.48
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
S1PR4 O95977 1/20 0.38

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
SCHEMBL27535148 0.95 RAPGEF4 (0.50) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL3333544 0.95 RAPGEF4 (0.50) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
M-Xylene SCHEMBL9614482 0.94 ACHE (0.48) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL4450056 0.85 ALDH1A1 (0.52) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL692221 0.85 RAPGEF4 (0.58) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
M-Xylene SCHEMBL4596537 0.83 ACHE (0.71) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
O-Xylene SCHEMBL9100131 0.83 ACHE (0.59) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
Benzene SCHEMBL3358651 0.80 TDP1 (0.50) RAPGEF4ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL60541 0.80
SCHEMBL29365203 0.80

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 3156 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4378016-A1 DETECTION SYSTEM AND METHOD QinetiQ Limited (GB) 2024-06-05 EP claimed
WO-2024046956-A1 IMPROVED PROCESS FOR PREPARING S-TRIAZINE DERIVATIVES BASF SE (DE) 2024-03-07 WO claimed
US-20240076519-A1 A WATERBORNE POLYURETHANE-EPOXY RESIN BASED PRIMER COMPOSITION AND ITS PREPARATION METHOD THEREOF BASF COATINGS GMBH (DE) 2024-03-07 US claimed
EP-4274858-A1 A WATERBORNE POLYURETHANE-EPOXY RESIN BASED PRIMER COMPOSITION AND ITS PREPARATION METHOD THEREOF BASF Coatings GmbH (DE) 2023-11-15 EP claimed
WO-2023166160-A1 PROCESS FOR SYNTHESIS OF 1,4-DIHYDRONICOTINAMIDE RIBOSIDE (NRH) FROM NICOTINAMIDE-BETA-RIBOSIDE TRIACETATE CHLORIDE (NRA-CL) BOHAN & CO AS. (NO) 2023-09-07 WO claimed
CN-107673948-B Method and device for separating narrow fraction of refined mixed aromatic hydrocarbon 新疆寰球工程公司 2023-06-27 CN claimed
CN-116323742-A Water-based polyurethane-epoxy resin base primer composition and preparation method thereof 巴斯夫涂料有限公司 2023-06-23 CN claimed
CN-113955919-B Phase transfer agent for high-water-content oil sludge 段征宇 2023-06-02 CN claimed
CN-116023217-A Method for separating trimethylbenzene monomer from heavy aromatic hydrocarbon 中国石油化工股份有限公司 2023-04-28 CN claimed
CN-110382450-B Treatment of a C8-C10 aromatic feed stream to produce and recover trimethylated benzenes 斯威夫特燃料有限责任公司 2023-02-28 CN claimed
EP-0132840-A2 Ethylene dimerization PHILLIPS PETROLEUM COMPANY (US) 1985-02-13 EP claimed
US-4452708-A MICROEMULSION FLOODING; ENHANCED OIL RECOVERY EXXON PRODUCTION RESEARCH CO. (US) 1984-06-05 US claimed
US-4350493-A AROMATIC HYDROCARBONS, CASTOR OIL-MODIFIED POLYOXYETHYLENE GLYCOL, ETHYLENE OXIDE FATTY ACID ADDUCT, PARAFFIN OIL SANDOZ LTD. (CH) 1982-09-21 US claimed
US-4272502-A Process for preparing gaseous hydrogen chloride from dilute aqueous hydrochloric acid CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1981-06-09 US claimed
US-4255356-A Purification of tertiary amines using an adsorbent CHEMISCHE WERKE HULS AG (DE) 1981-03-10 US claimed
US-4177219-A GRANULATION OF PENICILLINS STANDARD OIL COMPANY (INDIANA) (US) 1979-12-04 US claimed
US-4172813-A WITH A TUNGSTEN OXIDE, MOLYBDENUM OXIDE CATALYST STANDARD OIL COMPANY (INDIANA) (US) 1979-10-30 US claimed
US-4038335-A METHOD OF PREPARING BENZENE AND METHYLBENZENES MINACHEV KHABIB MINACHEVICH 1977-07-26 US claimed
US-3962363-A REACTING TOLUENE, METHANOL, AND A POLYMETHYLBENZENE, ACID CATALYST INSTITUT FRANCAIS DU PETROLE DES CARBURANTS ET LUBRIFIANTS (FR) 1976-06-08 US claimed
US-3952037-A Aluminum catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 US claimed