SCHEMBL2811774

SCHEMBL2811774

CCOC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
MDH2 P40926 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 1/20 0.59
HSP90AA1 P07900 1/20 0.59
KMT2A Q03164 1/20 0.59
GABRA1 P14867 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA2 P47869 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
MAOB P27338 1/20 0.54
IMPDH2 P12268 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRB2 P47870 1/20 0.54

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
SCHEMBL4176704 0.92 MDH2 (0.76) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL4030619 0.91 TRPM8 (0.63) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL4486238 0.89 ALDH1A1 (0.64) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL2433763 0.88 MDH2 (0.69) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL16714028 0.86 MDH2 (0.85) ALDH1A1HPGDMDH2SMN1; SMN2IMPDH2
SCHEMBL28106376 0.86 MDH2 (0.69) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL13999542 0.86 MDH2 (0.69) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL17023377 0.85 MDH2 (0.72) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL4906659 0.85 GABRA1 (0.71) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL28745968 0.84 ALDH1A1 (0.58) ALDH1A1HPGDMDH2SMN1; SMN2MEN1

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-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ALDH1A1 2185/4885HPGD 943/4885MDH2 3132/4885

“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.