SCHEMBL7791764

SCHEMBL7791764

O=C(O)Cc1c(Oc2ccc3c(c2)OCO3)cccc1Oc1cccc2c1OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
KMT2A Q03164 4/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
AGBL2 Q5U5Z8 1/20 0.40
FAAH O00519 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
Potassium Ion SCHEMBL8549224 0.98 KMT2A (0.40) MAOBKMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL7791761 0.92 MAOB (0.48) MAOBKMT2AALOX15SMN1; SMN2ALDH1A1
Potassium Ion SCHEMBL8549220 0.89 MAOB (0.46) MAOBKMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL7801002 0.86 MAOB (0.43) MAOBKMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL7799762 0.83 MAPK1 (0.43) MAOBKMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL7797779 0.80 MAPT (0.48) KMT2AALOX15SMN1; SMN2ALDH1A1RAB9A
SCHEMBL7791754 0.80 ALDH1A1 (0.41) MAOBKMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL7797679 0.77 RAB9A (0.49) MAOBALDH1A1RAB9ANPC1MAPK1
SCHEMBL7791687 0.76 AGBL2 (0.49) MAOBALDH1A1RAB9ANPC1AGBL2
SCHEMBL795101 0.76 MAOB (0.50) MAOBKMT2AALOX15SMN1; SMN2ALDH1A1

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 MAOB 464/4885KMT2A 3982/4885ALOX15 1011/4885

“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.