SCHEMBL6282989

SCHEMBL6282989

CC(C)C1(C(=O)CF)CCC(C)(C)c2cc(OCC3CC3)c(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RXRA P19793 5/20 0.32
HNF4A P41235 3/20 0.32
SCN9A Q15858 3/20 0.31
SCN5A Q14524 1/20 0.31
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
P2RX3 P56373 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
SCHEMBL6281171 0.67 RXRA (0.43) RXRAHNF4ARXRBRXRG
SCHEMBL8005483 0.65 RXRA (0.50) RXRAHNF4ARXRBRXRG
SCHEMBL6281394 0.64 CNR2 (0.34) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5364822 0.63 RXRA (0.48) RXRAHNF4ARXRBRXRG
SCHEMBL5846268 0.63 RXRA (0.36) RXRAHNF4A
SCHEMBL6033082 0.63 RXRA (0.43) RXRAHNF4ARXRBRXRG
SCHEMBL27823623 0.63 CNR2 (0.43) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL6033474 0.62 RXRA (0.32) RXRAHNF4A
SCHEMBL6033311 0.61 RARA (0.46) RXRAHNF4ARXRBRXRG
SCHEMBL27802861 0.61 NPC1 (0.45) CNR2PDE4APDE4BPDE4CPDE4D

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 CNR2 2741/4885PDE4A 2260/4885PDE4B 2225/4885

“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.