SCHEMBL4654263

SCHEMBL4654263

COc1cc2c(cc1C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.37
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
CACNA1F O60840 1/20 0.34
CHRM4 P08173 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
TACR1 P25103 1/20 0.34
PTAFR P25105 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
AGTR1 P30556 1/20 0.34
GNRHR P30968 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 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
SCHEMBL1496270 0.93 MAPT (0.38) RXRARXRBRXRGHTR2AHTR2C
SCHEMBL6086554 0.90 RXRA (0.46) RXRARXRBRXRGPOLA1CYP3A4
SCHEMBL6785200 0.87 MAPT (0.46) RXRAHTR2AHTR2CSLC6A4CYP3A4
SCHEMBL30573101 0.83 RXRA (0.46) RXRARXRBRXRGPOLA1CYP3A4
SCHEMBL26607136 0.83 RXRA (0.46) RXRARXRBRXRGPOLA1CYP3A4
SCHEMBL14016122 0.81 RXRA (0.41) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL8293241 0.81 RXRA (0.51) RXRARXRBRXRGADORA3CHRM1
SCHEMBL9770756 0.81 RXRA (0.41) RXRARXRBRXRGADORA3CHRM1
SCHEMBL29518297 0.81 RXRA (0.41) RXRARXRBRXRGADORA3CHRM1
SCHEMBL14016123 0.79 RXRA (0.45) RXRARXRBRXRGMAPTALDH1A1

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 8 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
EP-1485338-B1 ALKOXY-SUBSTITUTED INDANONES AND THE PRODUCTION THEREOF SYMRISE GMBH & CO KG (DE) 2008-11-12 EP disclosed
US-7235699-B2 Alkoxy-substituted indanes and the production thereof SYMRISE GMBH & CO. KG (DE) 2007-06-26 US disclosed
US-7235699-B2 Alkoxy-substituted indanes and the production thereof SYMRISE GMBH & CO. KG (DE) 2007-06-26 US disclosed
US-7235699-B2 Alkoxy-substituted indanes and the production thereof SYMRISE GMBH & CO. KG (DE) 2007-06-26 US disclosed
US-20050107476-A1 preparation and use of the corresponding alkoxy-substituted indanones, important intermediates for the preparation of pharmaceutical products SYMRISE GMBH & CO., KG (DE) 2005-05-19 US disclosed
EP-1485338-A1 ALKOXY-SUBSTITUTED INDANES AND THE PRODUCTION THEREOF Symrise GmbH & Co. KG (DE) 2004-12-15 EP disclosed
WO-2003076379-A1 ALKOXY-SUBSTITUTED INDANES AND THE PRODUCTION THEREOF SYMRISE GMBH & CO. KG (DE) 2003-09-18 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 (1 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-20050107476-A1 preparation and use of the corresponding alkoxy-substituted indanones, important intermediates for the preparation of pharmaceutical products CYP3A43, CYP1A2, CYP3A7 RXRA 4471/4885RXRB 4199/4885RXRG 4149/4885

“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.