SCHEMBL6857583

SCHEMBL6857583

Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(C)CC2)cc(C)c1O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.63
ESR2 Q92731 4/20 0.42
ESR1 P03372 3/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
OPRM1 P35372 1/20 0.33
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL5388017 0.86 ACHE (0.66) ACHEESR2ESR1CA1CA2
SCHEMBL23241904 0.86 ACHE (0.61) ACHEESR2ESR1CYP2C9
SCHEMBL675031 0.83 ACHE (0.79) ACHEESR2ESR1CA1CA2
SCHEMBL27451486 0.83 ACHE (0.47) ACHEESR2ESR1CA1CA2
SCHEMBL17636591 0.81 ACHE (0.59) ACHEESR2ESR1CA1CA2
SCHEMBL28309510 0.81 ACHE (0.59) ACHEESR2ESR1CA1CA2
SCHEMBL5968761 0.81 ACHE (0.40) ACHEESR2ESR1OPRM1THRB
SCHEMBL9066251 0.80 ACHE (0.68) ACHEESR2ESR1CA1CA2
SCHEMBL2996266 0.80 ACHE (0.58) ACHEESR2ESR1CA1CA2
SCHEMBL9066385 0.80 ACHE (0.53) ACHEESR2ESR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831147-B1 Melt transesterification process characterised in that chain terminators such as 2-(2-hydroxy-3-tert-butyl-5-(2-carboxyethyl)phenyl- benzotriazole are used BAYER AG (DE) 2004-12-14 US disclosed
US-6664342-B1 Distinguished by very good low temperature impact strength and very good stress cracking behavior BAYER AKTIENGESELLSCHAFT (DE) 2003-12-16 US disclosed
EP-0683192-B1 By their end groups UV-stabilized aromatic polycarbonates BAYER AG (DE) 2003-11-26 EP disclosed
EP-1203044-B1 POLYCARBONATES CONTAINING ASPARTIC ACID ESTER-FUNCTIONAL SILICONES BAYER AG (DE) 2003-10-01 EP disclosed
EP-1242501-B1 POLYETHER CARBONATES BAYER AG (DE) 2003-09-03 EP disclosed
US-20030009003-A1 Polyether carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US disclosed
EP-1242501-A1 POLYETHER CARBONATES Bayer Aktiengesellschaft (DE) 2002-09-25 EP disclosed
EP-1203044-A1 POLYCARBONATES CONTAINING ASPARTIC ACID ESTER-FUNCTIONAL SILICONES Bayer Aktiengesellschaft (DE) 2002-05-08 EP disclosed
EP-0751167-B1 Block copolycarbonates with polyisobutylene-alpha-halogen-ketocarboxylic acid-blocks BAYER AG (DE) 2001-09-19 EP disclosed
WO-2001044346-A1 POLYETHER CARBONATES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
US-5525674-A Polycarbonates with aliphatic ketocarboxyl end groups, mixed with known aromatic polycarbonates, their preparation and their use BAYER AG 1996-06-11 US disclosed
EP-0469403-B1 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-B1 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0683193-A2 Use of tertiary aliphatic monocarboxylic acids as chain terminators for the preparation of polycarbonates and polyestercarbonates BAYER AG (DE) 1995-11-22 EP disclosed
EP-0683192-A2 By their end groups UV-stabilized aromatic polycarbonates BAYER AG (DE) 1995-11-22 EP disclosed
EP-0676436-A1 Aromatic polycarbonates with polyolefinic ketocarboxylic endgroups mixed with known polycarbonates BAYER AG (DE) 1995-10-11 EP disclosed
EP-0469404-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
EP-0469403-A2 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
EP-0413190-A2 Polycarbonates prepared from n-alkyl substituted cyclohexylidene diphenols BAYER AG (DE) 1991-02-20 EP disclosed
EP-0387596-A2 Thermoplastic alloys of polycarbonates based on n-alkyl substituted cyclohexylidenbisphenols BAYER AG (DE) 1990-09-19 EP disclosed