SCHEMBL12188481

SCHEMBL12188481

COCOc1noc2ccc(/C=C/c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.61
FABP1 P07148 4/20 0.49
HSD17B13 Q7Z5P4 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
LIFR P42702 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
FXR2 P51116 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
SCHEMBL12188629 0.95 NR1H4 (0.56) NR1H4FABP1HSD17B13MEN1THRB
SCHEMBL12168847 0.89 NR1H4 (0.64) NR1H4FABP1HSD17B13MEN1THRB
SCHEMBL12188480 0.82 NR1H4 (0.65) NR1H4FXR2
SCHEMBL16230432 0.82 NR1H4 (0.41) NR1H4FABP1HSD17B13
SCHEMBL19628521 0.81 NR1H4 (0.67) NR1H4FABP1HSD17B13FXR2
SCHEMBL12168874 0.81 NR1H4 (0.61) NR1H4FABP1HSD17B13MEN1THRB
SCHEMBL12168859 0.80 NR1H4 (0.71) NR1H4FABP1HSD17B13MEN1THRB
SCHEMBL12168830 0.79 NR1H4 (0.65) NR1H4FABP1HSD17B13MEN1THRB
SCHEMBL19230543 0.79 NR1H4 (0.81) NR1H4FABP1HSD17B13MEN1THRB
SCHEMBL12188533 0.78 NR1H4 (0.63) NR1H4FABP1HSD17B13MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952042-B2 FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2015-02-10 US disclosed
EP-2467366-B1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2014-11-12 EP disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 US disclosed
WO-2011020615-A1 NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2011-02-24 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-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885FABP1 31/4885HSD17B13 504/4885

“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.