SCHEMBL6281761

SCHEMBL6281761

COc1cc2c(cc1Br)C(C(C)C)=CC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTR2A P28223 5/20 0.35
TAAR1 Q96RJ0 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL6278374 0.86 PPARG (0.41) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL6280883 0.81 KDM4E (0.37) HTR2ATAAR1KDM4EHTR2CHTR2B
SCHEMBL6278672 0.80 PPARG (0.43) PPARGPPARAKDM4E
SCHEMBL6513687 0.79 PPARG (0.40) PPARGPPARAKDM4E
SCHEMBL6511665 0.78 PPARG (0.39) PPARGPPARAKDM4E
SCHEMBL6511105 0.77 CYP3A4 (0.47) PPARGPPARAKDM4E
SCHEMBL6281574 0.77 PPARG (0.43) PPARGPPARAKDM4E
SCHEMBL6280858 0.77 KDM4E (0.34) PPARAHTR2ATAAR1KDM4EHTR2C
SCHEMBL6281548 0.77 KDM4E (0.34) HTR2ATAAR1KDM4EHTR2CHTR2B
SCHEMBL6278634 0.75 PPARG (0.38) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. 2005-05-05 US disclosed
US-6887896-B1 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-05-03 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 (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-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY TPO, THRA, FABP6 PPARG 32/4885PPARA 38/4885HTR2A 1163/4885

“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.