SCHEMBL7799732

SCHEMBL7799732

CC=Cc1c(Oc2ccc(CC)c(F)c2C(=O)O)ccc2c1OCO2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.31
CRHBP P24387 1/20 0.31
RECQL P46063 1/20 0.31
CRHR2 Q13324 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EDNRB P24530 1/20 0.30
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL7799731 0.78 MGAM (0.40) AOC3TP53TDP1CYP3A4
SCHEMBL7802116 0.78 KMT2A (0.38) CYP3A4ATM
SCHEMBL7802111 0.78 KMT2A (0.38) CYP3A4ATM
SCHEMBL7797675 0.76 KMT2A (0.43) HPGDTP53CRHBPRECQLCRHR2
SCHEMBL2211702 0.64 AOC3 (0.59) AOC3HPGDTDP1
SCHEMBL7802113 0.63 LMNA (0.43) HPGDTDP1
SCHEMBL4493633 0.63 ALDH1A1 (0.44) AOC3HTTTP53CRHBPRECQL
SCHEMBL423210 0.63 ALDH1A1 (0.44) AOC3HTTTP53CRHBPRECQL
SCHEMBL7223005 0.62 CYP3A4 (0.44) AOC3HPGDCYP3A4
SCHEMBL7797642 0.61 MAOB (0.39) HTTTDP1CYP3A4ATM

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 AOC3 583/4885HTT 1387/4885HPGD 1273/4885

“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.