SCHEMBL7802183

SCHEMBL7802183

CCc1ccc(Oc2ccc3c(c2)OCO3)c(C(=O)O)c1Oc1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
KMT2A Q03164 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EDNRB P24530 1/20 0.43
MEN1 O00255 1/20 0.43
EDNRA P25101 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7802114 0.87 KMT2A (0.55) KDM4EPOLBCTNNB1WNT3AKMT2A
SCHEMBL7800904 0.81 NPC1 (0.50) KDM4ECTNNB1WNT3AKMT2ANPC1
SCHEMBL7802113 0.81 LMNA (0.43) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL7799781 0.80 RAB9A (0.50) POLBCTNNB1WNT3AKMT2ANPC1
SCHEMBL8544701 0.79 KMT2A (0.57) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL7797675 0.79 KMT2A (0.43) KMT2ANPC1RAB9AEDNRBMEN1
SCHEMBL7801729 0.79 KMT2A (0.57) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL795101 0.78 MAOB (0.50) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL7801009 0.78 LTB4R (0.47) KDM4EPOLBCTNNB1WNT3AKMT2A
SCHEMBL7791690 0.76 ALDH1A1 (0.50) KDM4EKMT2ANPC1RAB9AMEN1

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 3 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

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 KDM4E 1955/4885POLB 3419/4885CTNNB1 2735/4885

“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.