SCHEMBL805662

SCHEMBL805662

COC(=O)C(Cl)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.54
KMT2A Q03164 3/20 0.51
TAS1R3 Q7RTX0 4/20 0.48
TAS1R1 Q7RTX1 4/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL11379098 0.85 EDNRA (0.49) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL22404286 0.84 EDNRA (0.56) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL12825470 0.84 EDNRA (0.56) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL1746047 0.83 PTGS2 (0.56) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL805660 0.83 EDNRA (0.55) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL10204938 0.82 EDNRA (0.54) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL14032401 0.82 EDNRA (0.54) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL4996294 0.82 EDNRA (0.54) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL7289763 0.80 EDNRA (0.51) EDNRAKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL10874124 0.78 EDNRA (0.51) EDNRAKMT2ATAS1R3TAS1R1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 EDNRA 3492/4885KMT2A 3968/4885TAS1R3 3512/4885

“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.