SCHEMBL2083877

SCHEMBL2083877

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.59
APP P05067 1/20 0.59
PTPN1 P18031 1/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
TYR P14679 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
EPHX2 P34913 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
JAK2 O60674 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
FDPS P14324 1/20 0.51
KMT2A Q03164 2/20 0.48

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
SCHEMBL22273094 0.89 TTR (0.61) TTRAPPPTPN1ALDH1A1KDM4E
SCHEMBL23927509 0.89 TTR (0.61) TTRAPPPTPN1ALDH1A1KDM4E
SCHEMBL13132420 0.85 TTR (0.65) TTRAPPPTPN1ALDH1A1KDM4E
SCHEMBL28598572 0.84 TTR (0.64) TTRAPPCA12CA1CA2
SCHEMBL28596467 0.84 TTR (0.64) TTRAPPCA12CA1CA2
SCHEMBL28735753 0.83 TTR (0.58) TTRAPPPTPN1ALDH1A1KDM4E
SCHEMBL23647677 0.83 TTR (0.58) TTRAPPPTPN1ALDH1A1KDM4E
SCHEMBL20456002 0.83 EPHX2 (0.70) TTRAPPPTPN1ALDH1A1KDM4E
SCHEMBL30290009 0.83 EPHX2 (0.70) TTRAPPPTPN1ALDH1A1KDM4E
SCHEMBL23647676 0.83 TTR (0.58) TTRAPPPTPN1ALDH1A1KDM4E

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-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TTR 3344/4885APP 4100/4885PTPN1 1201/4885

“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.