SCHEMBL1137814

SCHEMBL1137814

CCOC(=O)/C=C/c1cccc2cc[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.66
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
CDK19 Q9BWU1 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP3A4 P08684 2/20 0.44
BCHE P06276 2/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
HSD17B1 P14061 1/20 0.41

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
SCHEMBL1137815 1.00 BACE1 (0.66) BACE1CCNCCDK8CDK19CA12
SCHEMBL4478979 0.85 BACE1 (0.71) BACE1CCNCCDK8CA12CA1
SCHEMBL4478974 0.85 BACE1 (0.71) BACE1CCNCCDK8CA12CA1
SCHEMBL3785281 0.80 BACE1 (0.72) BACE1BCHEMAPTKMT2AKDM4E
SCHEMBL3221662 0.80 BACE1 (1.00) BACE1BCHEMAPTKEAP1PDPK1
SCHEMBL3785280 0.80 BACE1 (0.72) BACE1BCHEMAPTKMT2AKDM4E
SCHEMBL3221683 0.80 BACE1 (1.00) BACE1BCHEMAPTKEAP1PDPK1
SCHEMBL18783873 0.78 MAPT (0.56) CCNCCDK8CDK19CA12CA1
SCHEMBL1137338 0.78 BACE1 (0.74) BACE1CCNCCDK8CA1CA2
SCHEMBL1137340 0.78 BACE1 (0.74) BACE1CCNCCDK8CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 EP disclosed
US-7714017-B2 for prostaglandin-mediated disorders; (E)-3-[1-(2,4-Dichloro-benzyl)-3,3-bis-hydroxymethyl-2-oxo-2,3-dihydro-1H-indol-7-yl]-acrylic acid DECODE GENETICS, EHF (IS) 2010-05-11 US disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
EP-1814881-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics, Inc. (US) 2007-08-08 EP disclosed
EP-1812388-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics (US) 2007-08-01 EP disclosed
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease DECODE CHEMISTRY, INC. (US) 2006-06-29 US disclosed
WO-2006044000-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS (US) 2006-04-27 WO disclosed
WO-2006044415-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS, INC. (US) 2006-04-27 WO disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO disclosed
WO-2000047576-A1 CINNAMIDE DERIVATIVES AS OREXIN-1 RECEPTORS ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO 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 (4 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 BACE1 4336/4885CCNC 10/4885CDK8 25/4885
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 BACE1 3814/4885CCNC 1894/4885CDK8 1167/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 BACE1 3814/4885CCNC 1894/4885CDK8 1167/4885
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGDR BACE1 4477/4885CCNC 917/4885CDK8 2316/4885

“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.