Sugi Predict

Sugi Predict / Compounds / SCHEMBL7797642

SCHEMBL7797642

SCHEMBL7797642

CC=Cc1cc2c(cc1Oc1cccc(Oc3ccc4c(c3)OCO4)c1C(=O)O)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.39
▸ MAOA P21397 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 3/20 0.37
▸ MITF O75030 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL7799223 0.89 LMNA (0.46) MAOBALDH1A1NPC1RAB9ALMNA
SCHEMBL7799225 0.89 LMNA (0.46) MAOBALDH1A1NPC1RAB9ALMNA
SCHEMBL7791661 0.87 MAPT (0.45) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL795101 0.85 MAOB (0.50) MAOBMAOAALDH1A1NPC1RAB9A
SCHEMBL7802111 0.85 KMT2A (0.38) MAOBMAOAALDH1A1NPC1RAB9A
SCHEMBL7802116 0.85 KMT2A (0.38) MAOBMAOAALDH1A1NPC1RAB9A
SCHEMBL8547479 0.81 NPC1 (0.47) MAOBMAOAALDH1A1NPC1RAB9A
SCHEMBL7800904 0.81 NPC1 (0.50) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7799665 0.81 NPC1 (0.47) MAOBMAOAALDH1A1NPC1RAB9A
SCHEMBL7801002 0.80 MAOB (0.43) MAOBMAOAALDH1A1NPC1RAB9A

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 MAOB 464/4885MAOA 474/4885ALDH1A1 4421/4885

“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.