SCHEMBL2811008

SCHEMBL2811008

COC(=O)c1cc2cc(-c3ccc(O)cc3)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
CASP1 P29466 1/20 0.53
BRCA1 P38398 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FLT3 P36888 2/20 0.51
CLK1 P49759 2/20 0.50
DYRK1A Q13627 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL445684 0.88 LMNA (0.68) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL11467848 0.87 MAPT (0.58) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11456119 0.81 PIM1 (0.61) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL7559460 0.79 RARB (0.48) LMNAALDH1A1TP53MAPTMEN1
SCHEMBL5398383 0.79 PIM1 (0.73) KDM4EALDH1A1TP53MEN1KMT2A
SCHEMBL1065473 0.78 TAS1R3 (0.55) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL211674 0.78 FLT3 (0.67) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL1068608 0.78 FLT3 (0.67) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL24681539 0.77 TAS1R3 (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL446971 0.77 TAS1R3 (0.64) KDM4EALDH1A1HPGDHSD17B10GAA

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-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
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
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 KDM4E 4436/4885LMNA 2586/4885ALDH1A1 2185/4885

“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.