SCHEMBL12168786

SCHEMBL12168786

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2c2cccc(OC=O)c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.57
▸ FXR2 P51116 1/20 0.54
▸ LIFR P42702 1/20 0.53

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
SCHEMBL12168784 0.87 NR1H4 (0.75) NR1H4FXR2
SCHEMBL29880650 0.85 NR1H4 (0.77) NR1H4FXR2LIFR
SCHEMBL1163955 0.85 NR1H4 (0.77) NR1H4FXR2LIFR
SCHEMBL12168782 0.84 NR1H4 (0.73) NR1H4FXR2LIFR
SCHEMBL19760095 0.83 NR1H4 (0.77) NR1H4FXR2LIFR
SCHEMBL12168781 0.82 NR1H4 (0.67) NR1H4FXR2
SCHEMBL12168783 0.80 NR1H4 (0.65) NR1H4FXR2
SCHEMBL12168899 0.80 NR1H4 (0.59) NR1H4FXR2
SCHEMBL12168911 0.79 NR1H4 (0.56) NR1H4FXR2
SCHEMBL12168737 0.79 NR1H4 (0.75) NR1H4LIFR

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-8952042-B2 FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2015-02-10 — — US disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 — — 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-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885FXR2 5/4885LIFR 1561/4885

“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.

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