SCHEMBL7791690

SCHEMBL7791690

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 3/20 0.50
TSHR P16473 1/20 0.50
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
FFAR1 O14842 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL7799665 0.91 NPC1 (0.47) ALDH1A1MAPTTSHRMAOBKDM4E
SCHEMBL8547479 0.91 NPC1 (0.47) ALDH1A1MAPTTSHRMAOBKDM4E
SCHEMBL795101 0.91 MAOB (0.50) ALDH1A1MAPTTSHRMAOBKMT2A
SCHEMBL7802114 0.88 KMT2A (0.55) ALDH1A1MAOBKDM4EKMT2AMEN1
SCHEMBL7791653 0.87 NPC1 (0.43) ALDH1A1MAPTTSHRMAOBKMT2A
SCHEMBL7800904 0.86 NPC1 (0.50) ALDH1A1MAPTKDM4EKMT2ANPC1
SCHEMBL7791683 0.85 RAB9A (0.47) ALDH1A1MAPTMAOBKDM4EKMT2A
SCHEMBL7801729 0.84 KMT2A (0.57) ALDH1A1MAPTTSHRKMT2ALMNA
SCHEMBL8544701 0.84 KMT2A (0.57) ALDH1A1MAPTTSHRKMT2ALMNA
SCHEMBL7801002 0.83 MAOB (0.43) ALDH1A1MAPTMAOBKMT2ALMNA

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 ALDH1A1 4421/4885MAPT 4496/4885TSHR 282/4885

“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.