SCHEMBL7791670

SCHEMBL7791670

O=C(O)CCc1cccc(Oc2cccc(Oc3ccc4c(c3)OCO4)c2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.47
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.47
FAAH O00519 1/20 0.46
FFAR4 Q5NUL3 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
TSHR P16473 1/20 0.44
LTB4R Q15722 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43

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
SCHEMBL7799709 0.92 FFAR1 (0.49) FFAR1MAOBMAOAFFAR4TRPM8
SCHEMBL7791687 0.89 AGBL2 (0.49) MAOBMAOAFAAHTSHRNPC1
SCHEMBL8546970 0.88 TRPM8 (0.43) FFAR1MAOBMAOAFAAHTRPM8
SCHEMBL8545438 0.87 TSHR (0.44) MAOBMAOAFAAHTRPM8TSHR
SCHEMBL7799699 0.87 TSHR (0.44) MAOBMAOAFAAHTRPM8TSHR
SCHEMBL795101 0.86 MAOB (0.50) MAOBMAOAFAAHTSHRNPC1
SCHEMBL7797679 0.83 RAB9A (0.49) MAOBMAOAFAAHTSHRNPC1
SCHEMBL7801009 0.83 LTB4R (0.47) FFAR1TSHRLTB4RNPC1RAB9A
SCHEMBL8542347 0.81 EDNRB (0.45) MAOBMAOAFAAHNPC1RAB9A
SCHEMBL7791690 0.81 ALDH1A1 (0.50) FFAR1MAOBTSHRNPC1RAB9A

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-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 US claimed
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

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 FFAR1 368/4885MAOB 464/4885MAOA 474/4885

“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.