SCHEMBL2085779

SCHEMBL2085779

COC(=O)/C=C/c1ccc(O)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.73
APP P05067 2/20 0.73
PTPN1 P18031 1/20 0.69
EPHX2 P34913 1/20 0.68
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
TYR P14679 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
MCL1 Q07820 1/20 0.56
BACE1 P56817 2/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 4/20 0.54
CYP2C9 P11712 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP1A2 P05177 3/20 0.54
SNCA P37840 2/20 0.54

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
SCHEMBL13934474 1.00 TTR (0.73) TTRAPPPTPN1EPHX2CA12
SCHEMBL31560386 0.87 TTR (0.63) TTRAPPPTPN1EPHX2CA12
SCHEMBL6960203 0.87 TTR (0.63) TTRAPPPTPN1EPHX2CA12
SCHEMBL6960198 0.87 TTR (0.63) TTRAPPPTPN1EPHX2CA12
Methylcaffeate SCHEMBL30963730 0.85 APP (1.00) TTRAPPPTPN1EPHX2CA12
Methylcaffeate SCHEMBL30637688 0.85 APP (1.00) TTRAPPPTPN1EPHX2CA12
Methylcaffeate SCHEMBL198252 0.85 APP (1.00) TTRAPPPTPN1EPHX2CA12
Methylcaffeate SCHEMBL817520 0.85 APP (1.00) TTRAPPPTPN1EPHX2CA12
SCHEMBL14926722 0.84 TTR (0.59) TTRAPPPTPN1EPHX2CA12
SCHEMBL3886157 0.83 TTR (0.76) TTRAPPCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
US-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 US disclosed
CN-101243091-A Tricyclic compounds useful as 5-serotonin inhibitors and 5-HT1A agonists and antagonists WYETH CORP (US) 2008-08-13 CN disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
CN-101022810-A Novel biaromatic compounds which activate peroxisome proliferator activated receptor-like receptors and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-22 CN disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 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 (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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TTR 3344/4885APP 4100/4885PTPN1 1201/4885
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists HTR1A, HTR7, HTR3A TTR 830/4885APP 2460/4885PTPN1 1757/4885

“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.