SCHEMBL7791680

SCHEMBL7791680

C/C=C\c1cc(OC)ccc1Oc1cccc(Oc2ccc3c(c2)OCO3)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTNNB1 P35222 1/20 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
SCHEMBL7791682 1.00 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7799669 0.91 MAPT (0.46) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7791661 0.91 MAPT (0.45) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7791768 0.91 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7800835 0.91 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7799781 0.87 RAB9A (0.50) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7800988 0.86 MAPT (0.50) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7797772 0.84 MAPT (0.54) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7791733 0.82 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7791730 0.81 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDNPC1

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 MAPT 4496/4885ALDH1A1 4421/4885SMN1; SMN2 4474/4885

“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.