SCHEMBL7791687

SCHEMBL7791687

O=C(O)Cc1cccc(Oc2cccc(Oc3ccc4c(c3)OCO4)c2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.49
FAAH O00519 1/20 0.48
EDNRB P24530 1/20 0.47
MAOB P27338 6/20 0.46
MAOA P21397 4/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7797679 0.92 RAB9A (0.49) AGBL2FAAHMAOBMAOAALDH1A1
SCHEMBL7791670 0.89 FFAR1 (0.47) FAAHMAOBMAOARAB9ATSHR
SCHEMBL795101 0.88 MAOB (0.50) FAAHMAOBMAOAALDH1A1RAB9A
SCHEMBL8542347 0.87 EDNRB (0.45) FAAHEDNRBMAOBMAOAALDH1A1
SCHEMBL7799709 0.83 FFAR1 (0.49) MAOBMAOARAB9ATSHRNPC1
SCHEMBL7791761 0.83 MAOB (0.48) AGBL2FAAHMAOBMAOAALDH1A1
SCHEMBL7791690 0.82 ALDH1A1 (0.50) MAOBALDH1A1RAB9ATSHRCASP3
SCHEMBL7802114 0.82 KMT2A (0.55) EDNRBMAOBALDH1A1RAB9ANPC1
SCHEMBL7791683 0.82 RAB9A (0.47) MAOBMAOAALDH1A1CYP3A4CYP2C19
SCHEMBL8546970 0.81 TRPM8 (0.43) FAAHEDNRBMAOBMAOAALDH1A1

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 8 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
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP claimed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 WO 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 AGBL2 2712/4885FAAH 1459/4885EDNRB 2/4885

“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.