SCHEMBL7802114

SCHEMBL7802114

COc1cccc(Oc2cccc(Oc3ccc4c(c3)OCO4)c2C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
EDNRA P25101 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
EDNRB P24530 1/20 0.47
MEN1 O00255 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL7800904 0.94 NPC1 (0.50) KMT2ANPC1RAB9AKDM4ECTNNB1
SCHEMBL795101 0.91 MAOB (0.50) KMT2ANPC1RAB9APOLBALDH1A1
SCHEMBL7801729 0.89 KMT2A (0.57) KMT2ANPC1RAB9APOLBEDNRA
SCHEMBL8544701 0.89 KMT2A (0.57) KMT2ANPC1RAB9APOLBEDNRA
SCHEMBL7791690 0.88 ALDH1A1 (0.50) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL7802183 0.87 KDM4E (0.48) KMT2ANPC1RAB9AKDM4EPOLB
SCHEMBL8547479 0.86 NPC1 (0.47) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL7799665 0.86 NPC1 (0.47) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL7791788 0.86 KMT2A (0.43) KMT2ANPC1RAB9AKDM4ECTNNB1
SCHEMBL7801009 0.85 LTB4R (0.47) KMT2ANPC1RAB9AKDM4EPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 US claimed
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP claimed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 WO claimed
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 KMT2A 3982/4885NPC1 2650/4885RAB9A 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.