SCHEMBL7791730

SCHEMBL7791730

CCOC(=O)c1c(Oc2ccc3c(c2)OCO3)cccc1Oc1ccc(OC)cc1C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 7/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL7799781 0.86 RAB9A (0.50) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7800988 0.85 MAPT (0.50) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7797772 0.84 MAPT (0.54) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7791733 0.83 MAPT (0.42) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7799669 0.83 MAPT (0.46) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7791682 0.81 MAPT (0.42) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7791680 0.81 MAPT (0.42) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7791765 0.80 MAPT (0.41) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7800835 0.79 ALDH1A1 (0.47) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL7791768 0.79 ALDH1A1 (0.47) MAPTKMT2AMEN1TSHRHSD17B10

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 MAPT 4496/4885KMT2A 3982/4885MEN1 1048/4885

“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.