SCHEMBL5397188

SCHEMBL5397188

COc1cc2c(cc1C)C(=O)CC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.43
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
CCNA1 P78396 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 4/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL301752 0.88 CA1 (0.44) PGRL3MBTL1MEN1KMT2ARXRA
SCHEMBL4518869 0.84 RXRA (0.39) CDK4CCNA2CCND1CDK2GSK3B
SCHEMBL4830158 0.82 PGR (0.50) PGRMEN1KMT2ARXRAKDM4E
SCHEMBL5400962 0.82 ACHE (0.45) PGRMEN1KMT2ARXRAKDM4E
SCHEMBL2981568 0.79 RXRA (0.40) PGRRXRAKDM4EALDH1A1
SCHEMBL8595488 0.79 PGR (0.50) PGRKDM4EALDH1A1HPGDKLK7
SCHEMBL4233485 0.79 ACHE (0.45) PGRMEN1KMT2AKDM4EALDH1A1
SCHEMBL6087071 0.78 MALT1 (0.40) L3MBTL1MEN1KMT2ARXRAKDM4E
SCHEMBL14428501 0.77 TNFSF11 (0.55) PGRMEN1KMT2ARXRAKDM4E
SCHEMBL6224983 0.76 PGR (0.45) PGRL3MBTL1MEN1KMT2ARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485338-B1 ALKOXY-SUBSTITUTED INDANONES AND THE PRODUCTION THEREOF SYMRISE GMBH & CO KG (DE) 2008-11-12 EP disclosed
US-20070185057-A1 Novel Indanone Compounds SYMRISE GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-20070185057-A1 Novel Indanone Compounds SYMRISE GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-20070185057-A1 Novel Indanone Compounds SYMRISE GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-7208142-B2 Indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2007-04-24 US disclosed
EP-1466892-A1 Novel indanylidene compounds Symrise GmbH & Co. KG (DE) 2004-10-13 EP disclosed
EP-1341752-B1 NOVEL INDANYLIDENE COMPOUNDS SYMRISE GMBH & CO KG (DE) 2004-08-04 EP disclosed
CN-1473146-A Novel indanylidene compounds ������������� 2004-02-04 CN disclosed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 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 (2 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-20070185057-A1 Novel Indanone Compounds CUTA, NISCH, TYR PGR 3055/4885CDK4 885/4885CCNA2 585/4885
US-20020143203-A1 Novel indanylidene compounds CUTA, NISCH, ERCC4 PGR 3741/4885CDK4 1062/4885CCNA2 387/4885

“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.