SCHEMBL7799758

SCHEMBL7799758

ClCc1c(Oc2ccc3c(c2)OCO3)cccc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAOB P27338 9/20 0.49
MAOA P21397 5/20 0.49
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NOS2 P35228 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7799762 0.91 MAPK1 (0.43) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL7791749 0.81 ALDH1A1 (0.48) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL7791761 0.80 MAOB (0.48) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL15458939 0.78 ALDH1A1 (0.68) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL9505708 0.78 ALDH1A1 (0.63) MAPK1ALDH1A1MAOBMAOARAB9A
Potassium Ion SCHEMBL8549220 0.77 MAOB (0.46) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL6165864 0.77 ALDH1A1 (0.78) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL1341140 0.76 ALDH1A1 (0.61) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL795101 0.76 MAOB (0.50) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL7840833 0.74 KMT2A (0.60) MAPK1ALDH1A1MAOBMAOARAB9A

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.