SCHEMBL7791771

SCHEMBL7791771

C/C=C\c1cc(OC)ccc1Oc1cccc(F)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.42
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 2/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7791773 1.00 PRKCZ (0.42) PRKCZALDH1A1RAB9AGAAKDM4E
SCHEMBL7791682 0.81 MAPT (0.42) PRKCZALDH1A1RAB9AGAAKDM4E
SCHEMBL7791680 0.81 MAPT (0.42) PRKCZALDH1A1RAB9AGAAKDM4E
SCHEMBL7791675 0.80 RAB9A (0.39) PRKCZALDH1A1RAB9AGAAKDM4E
SCHEMBL7791677 0.80 RAB9A (0.39) PRKCZALDH1A1RAB9AGAAKDM4E
SCHEMBL30822598 0.75 CA12 (0.54) PRKCZALDH1A1RAB9AKDM4EMAPT
SCHEMBL7799731 0.72 MGAM (0.40) PRKCZALDH1A1RAB9AGAAKDM4E
SCHEMBL7791768 0.71 ALDH1A1 (0.47) ALDH1A1RAB9AGAAKDM4EHPGD
SCHEMBL7800835 0.71 ALDH1A1 (0.47) ALDH1A1RAB9AGAAKDM4EHPGD
SCHEMBL7799669 0.71 MAPT (0.46) PRKCZALDH1A1RAB9AKDM4EHPGD

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 PRKCZ 3368/4885ALDH1A1 4421/4885RAB9A 3305/4885

“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.