SCHEMBL4897630

SCHEMBL4897630

C=Cc1ccc2c(c1)c1ccccc1n2CC(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HTT P42858 4/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
SRC P12931 3/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
BACE1 P56817 2/20 0.44
TSHR P16473 4/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.43
PTGER4 P35408 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4905325 0.92 BACE1 (0.44) KDM4EHTTPOLBPKMSRC
SCHEMBL31454256 0.83 KDM4E (0.67) KDM4EHTTPOLBPKMSRC
SCHEMBL766095 0.83 KDM4E (0.67) KDM4EHTTPOLBPKMSRC
SCHEMBL12386867 0.82 BACE1 (0.57) KDM4EHTTALDH1A1HPGDLMNA
SCHEMBL31113393 0.81 KDM4E (0.43) KDM4EHTTPOLBPKMSRC
SCHEMBL25841828 0.80 HPGD (0.56) KDM4EHTTPOLBPKMSRC
SCHEMBL18506690 0.78 KDM4E (0.46) KDM4EHTTPOLBPKMALDH1A1
Biphenyl SCHEMBL27902588 0.78 KDM4E (0.60) KDM4EHTTPOLBPKMSRC
SCHEMBL11786017 0.78 PGR (0.52) KDM4EHTTPOLBPKMSRC
SCHEMBL604579 0.77 HTT (0.48) KDM4EHTTPOLBPKMSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed