SCHEMBL7799672

SCHEMBL7799672

O=C(O)c1c(Oc2ccccc2)cccc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CTNNB1 P35222 1/20 0.55
AKR1C3 P42330 1/20 0.52
TTR P02766 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSPO P30536 1/20 0.49
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SRD5A2 P31213 1/20 0.47
ADRA2C P18825 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL11473870 0.98 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL34487 0.88 CTNNB1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL29435067 0.88 CTNNB1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL23857975 0.87 TDP1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL18359089 0.87 DPP4 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1655946 0.87 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL11066360 0.85 CTNNB1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5798820 0.85 NCOA1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7791692 0.84 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7800990 0.84 CA1 (0.66) CA12CA1CA2CA7CA9

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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-08-16 US disclosed
US-6265428-B1 VASODILATION TEXAS BIOTECHNOLOGY CORPORATION 2001-07-24 US disclosed
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 US disclosed
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP disclosed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 WO disclosed
US-4191554-A Herbicidal benzamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-04 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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, NPR1 CA12 4549/4885CA1 3038/4885CA2 1086/4885

“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.