SCHEMBL5400962

SCHEMBL5400962

COc1cc2c(cc1O)C(=O)CC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
PGR P06401 4/20 0.40
HSD17B1 P14061 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.40
CA1 P00915 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
AKR1B1 P15121 2/20 0.40
MCL1 Q07820 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL4233485 0.94 ACHE (0.45) ACHEALDH1A1MITFLMNATP53
SCHEMBL301752 0.86 CA1 (0.44) ACHEALDH1A1TP53MAPTPGR
SCHEMBL5397188 0.82 PGR (0.43) ALDH1A1PGRMEN1KMT2ACA1
SCHEMBL14428501 0.79 TNFSF11 (0.55) MAPTTSHRPGRMEN1KMT2A
SCHEMBL8595488 0.77 PGR (0.50) ALDH1A1TP53MAPTTSHRPGR
SCHEMBL14428500 0.75 PDE4A (0.41) ALDH1A1LMNATP53MAPTPGR
SCHEMBL6224983 0.75 PGR (0.45) ALDH1A1LMNAMAPTPGRMEN1
SCHEMBL10401817 0.74 KDM4E (0.56) ACHEALDH1A1MITFMAPTGAA
SCHEMBL6554850 0.73 PDE4B (0.37) ALDH1A1LMNAMAPTPGRMEN1
SCHEMBL6553226 0.73 PDE4B (0.37) ALDH1A1LMNAMAPTPGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
CN-1473146-A Novel indanylidene compounds ������������� 2004-02-04 CN disclosed
EP-1341752-A1 NOVEL INDANYLIDENE COMPOUNDS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP disclosed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 US disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
WO-2002038537-A1 NOVEL INDANYLIDENE COMPOUNDS HAARMANN & REIMER GMBH (DE) 2002-05-16 WO disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP 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 ACHE 2591/4885ALDH1A1 434/4885MITF 102/4885
US-20020143203-A1 Novel indanylidene compounds CUTA, NISCH, ERCC4 ACHE 2498/4885ALDH1A1 373/4885MITF 19/4885

“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.