SCHEMBL7799781

SCHEMBL7799781

CCOC(=O)c1c(Oc2cccc(OC)c2)cccc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
KMT2A Q03164 4/20 0.50
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL7800988 0.94 MAPT (0.50) RAB9ANPC1KMT2ACTNNB1WNT3A
SCHEMBL7797772 0.93 MAPT (0.54) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL7799669 0.88 MAPT (0.46) RAB9ANPC1KMT2ACTNNB1WNT3A
SCHEMBL7791682 0.87 MAPT (0.42) RAB9ANPC1KMT2ACTNNB1WNT3A
SCHEMBL7791733 0.87 MAPT (0.42) RAB9ANPC1KMT2ACTNNB1WNT3A
SCHEMBL7791680 0.87 MAPT (0.42) RAB9ANPC1KMT2ACTNNB1WNT3A
SCHEMBL7797779 0.86 MAPT (0.48) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL7791730 0.86 MAPT (0.42) RAB9ANPC1KMT2ACTNNB1WNT3A
SCHEMBL7790974 0.86 MAPT (0.50) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL7800997 0.85 MAPT (0.46) RAB9ANPC1KMT2AMAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3305/4885NPC1 2650/4885KMT2A 3982/4885

“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.