SCHEMBL49544

SCHEMBL49544

Cc1cc(Br)cc(C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
ALOX5 P09917 4/20 0.39
CYP1A2 P05177 2/20 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
SCHEMBL670489 0.86 CYP3A4 (0.65) CA1CA2CYP3A4TSHRTDP1
SCHEMBL12189844 0.86 CYP3A4 (0.43) CA1CA2CYP3A4TSHRTDP1
SCHEMBL16379755 0.84 TTR (0.48) CA1CA2CYP3A4TSHRTDP1
SCHEMBL19381714 0.82 CYP3A4 (0.40) CA1CA2CYP3A4TSHRTDP1
SCHEMBL930155 0.82 MEN1 (0.46) CA1CA2CYP3A4TSHRTDP1
SCHEMBL931070 0.82 CYP3A4 (0.40) CA1CA2CYP3A4TSHRTDP1
SCHEMBL1733872 0.82 KDM4E (0.60) CA1CA2CYP3A4TSHRTDP1
SCHEMBL13886710 0.80 CYP3A4 (0.43) CA1CA2CYP3A4TSHRTDP1
SCHEMBL10814346 0.80 CYP3A4 (0.39) CA1CA2CYP3A4TSHRTDP1
SCHEMBL13997556 0.78 GABRA1 (0.75) CA1CA2CYP3A4TSHRTDP1

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 1247 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528880-A HIV-1 non-nucleoside reverse transcriptase inhibitor and preparation method and application thereof 复旦大学 2025-02-28 CN claimed
CN-118190571-B Water sample pretreatment method for detecting adsorbable organic halogen 同济大学 2024-09-10 CN claimed
CN-118190571-A Water sample pretreatment method for detecting adsorbable organic halogen 同济大学 2024-06-14 CN claimed
CN-117844226-A Polyphenyl ether composite material, and preparation method and application thereof 深圳烯湾科技有限公司 2024-04-09 CN claimed
CN-116487660-A Glass fiber cloth reinforced anion exchange membrane and preparation method thereof 成都锂能科技有限公司 2023-07-25 CN claimed
CN-113980265-B Preparation method of high-purity low-molecular-weight dihydroxy polyphenyl ether 湘潭大学 2023-06-27 CN claimed
CN-113980265-A Preparation method of high-purity low-molecular-weight dihydroxy polyphenyl ether 湘潭大学 2022-01-28 CN claimed
CN-108997115-B Special chiral additive for handwriting board and flexible handwriting film based on same 合肥微晶材料科技有限公司 2021-01-01 CN claimed
CN-108997115-A A kind of dedicated chiral additives of handwriting pad and the hand-written film of flexibility based on it 合肥微晶材料科技有限公司 2018-12-14 CN claimed
CN-104403097-B High-yield polyphenyl ether manufacturing method for improving reaction safety 南亚塑胶工业股份有限公司 2017-05-17 CN claimed
CN-1295566-A Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 CN claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
EP-0514821-B1 Improved method of production of biaryl derivatives BROMINE COMPOUNDS LTD (IL) 1996-11-06 EP claimed
EP-0488860-B1 Method for the production of polyalkoxylated aromatic compounds RHONE POULENC CHIMIE (FR) 1995-10-11 EP claimed
US-5177258-A Coupling an Aryl Halide, Palladium Catalyst, Formic Hydrazide Reducing Agent BROMINE COMPOUNDS, LTD. (IL) 1993-01-05 US claimed
EP-0514821-A1 Improved method of production of biaryl derivatives Bromine Compounds Ltd. (IL) 1992-11-25 EP claimed
EP-0490164-A2 Polyphenylene ether process and resin composition GENERAL ELECTRIC COMPANY (US) 1992-06-17 EP claimed
US-5084551-A Condensation of 2,6-dialkyl-4-halophenols in oxygen with a polymerization catalyst phase transfer agent GENERAL ELECTRIC CO. (US) 1992-01-28 US claimed