SCHEMBL7797679

SCHEMBL7797679

O=C(O)Cc1ccc(Oc2cccc(Oc3ccc4c(c3)OCO4)c2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
AGBL2 Q5U5Z8 1/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.42
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
TDP1 Q9NUW8 1/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL7791687 0.92 AGBL2 (0.49) RAB9AAGBL2MAOBMAOAALDH1A1
SCHEMBL795101 0.89 MAOB (0.50) RAB9AMAOBMAOAALDH1A1HPGD
SCHEMBL7799709 0.89 FFAR1 (0.49) RAB9AMAOBMAOANPC1TSHR
SCHEMBL7791683 0.85 RAB9A (0.47) RAB9AMAOBMAOAALDH1A1CYP3A4
SCHEMBL7799665 0.84 NPC1 (0.47) RAB9AMAOBMAOAALDH1A1NPC1
SCHEMBL8547479 0.84 NPC1 (0.47) RAB9AMAOBMAOAALDH1A1NPC1
SCHEMBL7800904 0.84 NPC1 (0.50) RAB9AALDH1A1HPGDNPC1MAPK1
SCHEMBL7791761 0.84 MAOB (0.48) RAB9AAGBL2MAOBMAOAALDH1A1
SCHEMBL7791670 0.83 FFAR1 (0.47) RAB9AMAOBMAOANPC1FAAH
Potassium Ion SCHEMBL8549220 0.82 MAOB (0.46) RAB9AAGBL2MAOBMAOAALDH1A1

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 RAB9A 3305/4885AGBL2 2712/4885MAOB 464/4885

“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.