SCHEMBL7802111

SCHEMBL7802111

C/C=C\c1c(Oc2cccc(Oc3ccc4c(c3)OCO4)c2C(=O)O)ccc2c1OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL7802116 1.00 KMT2A (0.38) KMT2AMAOBMAOACYP3A4ATM
SCHEMBL7797642 0.85 MAOB (0.39) KMT2AMAOBMAOACYP3A4ATM
SCHEMBL7801002 0.84 MAOB (0.43) KMT2AMAOBMAOANPC1RAB9A
SCHEMBL795101 0.82 MAOB (0.50) KMT2AMAOBMAOANPC1RAB9A
SCHEMBL7801729 0.79 KMT2A (0.57) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8544701 0.79 KMT2A (0.57) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8547479 0.78 NPC1 (0.47) KMT2AMAOBMAOANPC1RAB9A
SCHEMBL7799665 0.78 NPC1 (0.47) KMT2AMAOBMAOANPC1RAB9A
SCHEMBL7800904 0.78 NPC1 (0.50) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL7799732 0.78 AOC3 (0.36) CYP3A4ATM

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 KMT2A 3982/4885MAOB 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.