SCHEMBL7801009

SCHEMBL7801009

COc1ccc(Oc2cccc(Oc3ccc4c(c3)OCO4)c2C(=O)O)c(CCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
KMT2A Q03164 5/20 0.46
FFAR1 O14842 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.42
EDNRA P25101 2/20 0.42
EDNRB P24530 1/20 0.42
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7799699 0.91 TSHR (0.44) LTB4RCTNNB1WNT3AKMT2ANPC1
SCHEMBL8545438 0.91 TSHR (0.44) LTB4RCTNNB1WNT3AKMT2ANPC1
SCHEMBL7791733 0.90 MAPT (0.42) LTB4RCTNNB1WNT3AKMT2AFFAR1
SCHEMBL7802114 0.85 KMT2A (0.55) CTNNB1WNT3AKMT2ANPC1RAB9A
SCHEMBL7800904 0.84 NPC1 (0.50) CTNNB1WNT3AKMT2ANPC1RAB9A
SCHEMBL7799709 0.83 FFAR1 (0.49) LTB4RFFAR1NPC1RAB9ATSHR
SCHEMBL7799750 0.83 MAOB (0.42) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL7791670 0.83 FFAR1 (0.47) LTB4RFFAR1NPC1RAB9ATSHR
SCHEMBL7801729 0.82 KMT2A (0.57) KMT2ANPC1RAB9APOLBEDNRA
SCHEMBL8544701 0.82 KMT2A (0.57) KMT2ANPC1RAB9APOLBEDNRA

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 6 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

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 LTB4R 405/4885CTNNB1 2735/4885WNT3A 1174/4885

“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.