SCHEMBL793225

SCHEMBL793225

CCC(C)c1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
ESR1 P03372 1/20 0.48
ACHE P22303 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
RORC P51449 1/20 0.37
ACP3 P15309 1/20 0.37
NR3C2 P08235 1/20 0.37
MC4R P32245 1/20 0.37
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL29654913 1.00 TSHR (0.61) TSHRESR1ACHEGABRA1GABRB2
SCHEMBL5357776 1.00 TSHR (0.61) TSHRESR1ACHEGABRA1GABRB2
SCHEMBL5496564 1.00 TSHR (0.61) TSHRESR1ACHEGABRA1GABRB2
Hydrogen Peroxide SCHEMBL9770725 0.96 TSHR (0.63) TSHRESR1GABRA1GABRB2ATM
Phenol SCHEMBL28188481 0.88 TSHR (0.60) TSHRESR1GABRA1GABRB2ATM
SCHEMBL994607 0.85 TSHR (0.73) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL7176631 0.83 ESR1 (0.50) TSHRESR1ACHEGABRA1GABRB2
SCHEMBL8680526 0.83 TSHR (0.53) TSHRESR1ACHEGABRA1GABRB2
SCHEMBL11800593 0.82 ESR1 (0.45) TSHRESR1ACHEACP3NR3C2
SCHEMBL27391011 0.82 TSHR (0.52) TSHRESR1GABRA1ATMRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101842338-B Oxidation of hydrocarbons EXXONMOBIL CHEM PATENTS INC 2015-02-18 CN claimed
CN-101687784-B Oxidation of hydrocarbons EXXONMOBIL CHEM PATENTS INC 2014-11-12 CN claimed
CN-102177121-A Process for producing phenol EXXONMOBIL CHEMICAL COMPANY 2011-09-07 CN claimed
EP-1697578-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2011-08-31 EP claimed
CN-101842338-A Oxidation of hydrocarbons EXXONMOBIL CHEM PATENTS INC 2010-09-22 CN claimed
CN-101687784-A oxidation of hydrocarbons EXXONMOBIL CHEM PATENTS INC 2010-03-31 CN claimed
CN-101679167-A Process for oxidizing alkylaromatic compounds EXXONMOBIL CHEM PATENTS INC 2010-03-24 CN claimed
EP-1845786-B1 FORMULATIONS CONTAINING MICROENCAPSULATED ESSENTIAL OILS BOTANOCAP LTD (IL) 2010-03-10 EP claimed
CN-100545134-C The application of nano molecular sieve catalyst in alkylation reaction of arene SHANGHAI HUAYI ACRYLIC ACID CO (CN) 2009-09-30 CN claimed
CN-101511784-A Process for oxidizing alkylaromatic compounds EXXONMOBIL CHEM PATENTS INC (US) 2009-08-19 CN claimed
WO-2009025939-A2 OXIDATION OF HYDROCARBONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-02-26 WO claimed
WO-2009010224-A1 PROCESS FOR OXIDIZING ALKYLAROMATIC COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-22 WO claimed
WO-2008128638-A1 PROCESS FOR OXIDIZING ALKYLAROMATIC COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-10-30 WO claimed
CN-101054334-A Application of nano molecular sieve catalyst in alkylation reaction of arene SHANGHAI HUAYI ACRYLIC ACID CO (CN) 2007-10-17 CN claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-0231569-B1 SELECTIVE CATALYTIC DEALKYLATION OF 1,4-DIALKYLBENZENES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-05-16 EP claimed
JP-3011055-A None JP disclosed
JP-3011056-A None JP disclosed
US-4205189-A Method for producing 3-alkylphenols and 1,3-dihydroxybenzene MOBIL OIL CORPORATION (US) 1980-05-27 US disclosed
US-4197413-A ALKYLATION OVER SELECTIVE ZEOLITE, OXIDATION TO HYDROPEROXIDE, REARRANGEMENT MOBIL OIL CORPORATION (US) 1980-04-08 US disclosed