SCHEMBL9075413

SCHEMBL9075413

Cc1cc(C2(c3ccc(O)c(C)c3)CCC(C(C)(C)C)CC2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.63
ESR2 Q92731 8/20 0.63
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
AR P10275 2/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 1/20 0.34
ALOX12 P18054 2/20 0.34
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL278622 0.91 ESR1 (0.63) ESR1ESR2ACHETDP1TP53
SCHEMBL12606673 0.89 ESR1 (0.61) ESR1ESR2ACHETDP1TP53
SCHEMBL12606670 0.87 ESR1 (0.58) ESR1ESR2ACHETDP1TP53
SCHEMBL9073420 0.85 ESR1 (0.56) ESR1ESR2ACHEARLMNA
SCHEMBL9074896 0.84 ESR1 (0.55) ESR1ESR2ACHETDP1TP53
SCHEMBL6451677 0.84 ESR1 (0.57) ESR1ESR2ACHETDP1TP53
SCHEMBL5386114 0.83 ESR1 (0.71) ESR1ESR2ACHETDP1TP53
SCHEMBL12606671 0.83 ESR1 (0.54) ESR1ESR2ACHETDP1TP53
SCHEMBL12606730 0.83 ESR1 (0.54) ESR1ESR2ACHETDP1TP53
SCHEMBL9803635 0.83 ESR1 (0.54) ESR1ESR2ACHETDP1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0374656-B1 POLYCARBONATES FROM ALKYL CYCLOHEXYLIDENE DIPHENOLS BAYER AG (DE) 1993-03-17 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
US-5034457-A Polycarbonate for use in molding materials for laminated films and for electronics BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
US-5010162-A Polycarbonate of alkyl cyclohexylidene bisphenol BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed