SCHEMBL7799762

SCHEMBL7799762

ClCc1c(Oc2ccc3c(c2)OCO3)cccc1Oc1cccc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 8/20 0.42
MAOA P21397 4/20 0.42
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 2/20 0.37
HPGD P15428 1/20 0.37
NOS2 P35228 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL7799758 0.91 MAPK1 (0.51) MAPK1ALDH1A1MAOBMAOAKMT2A
SCHEMBL7791754 0.84 ALDH1A1 (0.41) MAPK1ALDH1A1MAOBMAOAKMT2A
SCHEMBL7791764 0.83 MAOB (0.41) MAPK1ALDH1A1MAOBMAOAKMT2A
Potassium Ion SCHEMBL8549224 0.81 KMT2A (0.40) MAPK1ALDH1A1MAOBKMT2ARAB9A
SCHEMBL7801002 0.80 MAOB (0.43) MAPK1ALDH1A1MAOBMAOAKMT2A
SCHEMBL7797779 0.77 MAPT (0.48) MAPK1ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL7791749 0.73 ALDH1A1 (0.48) MAPK1ALDH1A1MAOBMAOAKMT2A
SCHEMBL11349832 0.73 LMNA (0.50) ALDH1A1MAOBKMT2ALMNAHPGD
SCHEMBL7840833 0.72 KMT2A (0.60) MAPK1ALDH1A1MAOBMAOAKMT2A
SCHEMBL7791761 0.72 MAOB (0.48) MAPK1ALDH1A1MAOBMAOAKMT2A

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 MAPK1 979/4885ALDH1A1 4421/4885MAOB 464/4885

“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.