SCHEMBL7797658

SCHEMBL7797658

C=CCOc1ccc(C(O)O)c(C(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA9 Q16790 5/20 0.43
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 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
SCHEMBL15447616 0.76 CYP2D6 (0.46) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL28211163 0.76 CYP2D6 (0.46) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3825460 0.74 CA12 (0.64) MAPTSMN1; SMN2MEN1LMNAKMT2A
1,4-Diallyloxybenzene SCHEMBL302448 0.73 CA12 (0.63) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL28985011 0.72 KDM4E (0.51) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL29509997 0.72 MAPT (0.53) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL20391482 0.72 CYP2D6 (0.51) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL21736836 0.71 MAPT (0.42) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3823460 0.71 CA12 (0.60) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL1520719 0.70 MEN1 (0.50) MAPTSMN1; SMN2MEN1LMNAKMT2A

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 4496/4885SMN1; SMN2 4474/4885MEN1 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.