SCHEMBL6281171

SCHEMBL6281171

CCCOc1cc2c(cc1Br)C(C(=O)CF)(C(C)(C)C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.43
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36
HNF4A P41235 5/20 0.35

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
SCHEMBL5364822 0.81 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL6281411 0.80 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL6479338 0.73 RXRA (0.47) RXRARARARARBRARGRXRB
SCHEMBL6874366 0.72 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL8005483 0.70 RXRA (0.50) RXRARARARARBRARGRXRB
SCHEMBL6033082 0.69 RXRA (0.43) RXRARARARARBRARGRXRB
SCHEMBL727284 0.69 RXRA (0.60) RXRARARARARBRARGRXRB
SCHEMBL6033311 0.68 RARA (0.46) RXRARARARARBRARGRXRB
SCHEMBL5859918 0.68 RXRA (0.59) RXRARARARARBRARGRXRB
SCHEMBL6282989 0.67 CNR2 (0.37) RXRARXRBRXRGHNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RXRA 19/4885RARA 47/4885RARB 98/4885

“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.