SCHEMBL3676891

SCHEMBL3676891

COc1nc(C2=C(c3ccc(O)cc3)C3CCCC3C2=O)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
VCP P55072 1/20 0.34
RAB9A P51151 6/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
NPC1 O15118 5/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK1 P28482 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34

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
SCHEMBL3682999 0.71 ERN1 (0.35) MEN1KMT2A
SCHEMBL3723397 0.71 ALDH1A1 (0.33) MAPTPOLBRAB9AMEN1KMT2A
SCHEMBL3682112 0.71 ESR1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL3682703 0.70 NPC1 (0.37) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL3680426 0.70 MMP3 (0.41) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL3642382 0.68 P2RX3 (0.34) RAB9ANPC1
SCHEMBL3689515 0.68 BRD4 (0.43)
SCHEMBL3646252 0.67 L3MBTL1 (0.36) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL3676121 0.66 ESR2 (0.36) GAA
SCHEMBL3684902 0.66 ESR2 (0.36) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US claimed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP claimed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO claimed
US-7816548-B2 Method of preparing a hydrocarbylated metal-organic compound DSM IP ASSETS B.V. (NL) 2010-10-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
US-20080124298-A1 Antifouling Coating Composition and Its Use on Man Made Structures AKZO NOBEL COATING INTERNATIONAL B.V. (NL) 2008-05-29 US disclosed
US-20070112182-A1 Method of preparing a hydrocarbylated metal-organic compound DSM IP ASSETS B.V. (NL) 2007-05-17 US disclosed
US-7012121-B2 Delayed activity supported olefin polymerization catalyst compositions and method for making and using the same BP CHEMICALS LIMITED (GB) 2006-03-14 US disclosed
US-20040235646-A1 Delayed activity supported olefin polymerization catalyst compositions and method for making and using the same BP CHEMICAL LIMITED 2004-11-25 US disclosed
US-6635597-B1 L+ B-(C6F5)3(C10F7), where L is a cation and B- is a boron anion; addition polymerization catalyst NORTHWESTERN UNIVERSITY 2003-10-21 US disclosed
US-6528449-B1 Polymerization catalysts such as /tertbutylamido/tetramethyl-cyclopentadienyl/ dimethylsilanetitanium 1,3-pentadiene and isobutyl(perfluorophenyl)-4,6-di-(t-butyl) phenoxyaluminum THE DOW CHEMICAL COMAPNY 2003-03-04 US disclosed
US-6482896-B2 FIBERS; BLEND OF POLYPROPYLENE AND ETHYLENE COPOLYMER DOW GLOBAL TECHNOLOGIES INC. 2002-11-19 US disclosed
US-20020132729-A1 Catalyst activators comprising expanded anions LAPOINTE ROBERT E (US) 2002-09-19 US disclosed
US-20010027161-A1 Catalyst activators comprising expanded anions THE DOW CHEMICAL COMPANY 2001-10-04 US disclosed
US-6291614-B1 AS CATALYST ACTIVATOR ADAPTED FOR USE IN THE ACTIVATION OF METAL COMPLEXES POLYMERIZATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SUCH AS OLEFINS THE DOW CHEMICAL COMPANY 2001-09-18 US disclosed
US-20010018396-A1 Activator composition comprising aluminum compound mixture CHEN EUGENE Y (US) 2001-08-30 US disclosed
US-6268445-B1 AROMATIC BORANE AND FLUOROBORON COMPOUNDS AS PROMOTERS THE DOW CHEMICAL COMPANY 2001-07-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 MAPT 4240/4885POLB 4529/4885KDM4E 572/4885
US-20070112182-A1 Method of preparing a hydrocarbylated metal-organic compound DRD2, DRD1, DRD4 MAPT 4199/4885POLB 3639/4885KDM4E 111/4885
US-20080124298-A1 Antifouling Coating Composition and Its Use on Man Made Structures SOD1, ITGAV, ITGA2B MAPT 1904/4885POLB 190/4885KDM4E 2116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.