SCHEMBL5408306

SCHEMBL5408306

COc1c(C)cc2c(c1C)C(C)(C)CC2=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PGR P06401 4/20 0.36
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CCNA1 P78396 1/20 0.33
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 2/20 0.31
TP53 P04637 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL7168266 0.73 POLB (0.31) ALDH1A1POLBRAB9A
SCHEMBL9056337 0.70 PGR (0.44) ALDH1A1PGRHTTTDP1
SCHEMBL5406946 0.70
SCHEMBL5406940 0.70
SCHEMBL9527144 0.69 KDM4E (0.50) ALDH1A1CDK4CCNA2CCND1CDK2
SCHEMBL5397188 0.69 PGR (0.43) ALDH1A1PGRCDK4CCNA2CCND1
SCHEMBL4056890 0.68 KDM4E (0.38) ALDH1A1PGRHTTTP53
SCHEMBL7168725 0.67 POLB (0.33) ALDH1A1POLBRAB9A
SCHEMBL6262202 0.66 PGR (0.46) ALDH1A1PGRPOLB
SCHEMBL4830158 0.66 PGR (0.50) ALDH1A1PGRHTTTDP1

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 14 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-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
EP-0823418-B1 Indanylidene derivatives and their use as UV-absorbers HAARMANN & REIMER GMBH (DE) 2002-10-09 EP disclosed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 US disclosed
US-6160094-A aroA SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
US-6156956-A Control of fruit ripening through genetic control of ACC synthase synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF AGRICULTURE (US) 2000-12-05 US disclosed
US-6153175-A Indanylidene compounds, a process for their preparation and their use as UV absorbers HAARMANN & REIMER GMBH (DE) 2000-11-28 US disclosed
US-6008020-A A POLYNUCLEOTIDE; THERAPY OF NERVOUS SYSTEM DISORDERS; HEMOSTATIC AND ANTITUMOR AGENT HUMAN GENOME SCIENCES (US) 1999-12-28 US disclosed
US-6004764-A SCREENING METHODS FOR POTENTIAL THERAPEUTIC AGENTS WHICH REGULATE THE GROWTH OF M. TUBERCULOSIS; METHOD FOR IDENTIFYING GENES OF M. TUBERCULOSIS WHICH ARE REGULATED BY A SIGMA FACTOR OF M. TUBERCULOSIS JOHNS HOPKINS UNIVERSITY (US) 1999-12-21 US disclosed
US-5965066-A HIGH PROTECTION AGAINST BOTH UV-A AND UV-B RAYS AT LOW CONCENTRATIONS; RADIATION AND HEAT RESISTANCE; SUNSCREEN AGENTS; COSMETICS FOR SKIN AND HAIR HAARMANN & REIMER GMBH (DE) 1999-10-12 US disclosed
EP-0823418-A2 Indanylidene derivatives, process for their preparation and their use as UV-absorbers HAARMANN & REIMER GMBH (DE) 1998-02-11 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 ALDH1A1 434/4885PGR 3055/4885POLB 2562/4885
US-20020143203-A1 Novel indanylidene compounds CUTA, NISCH, ERCC4 ALDH1A1 373/4885PGR 3741/4885POLB 1888/4885

“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.