SCHEMBL17856130

SCHEMBL17856130

C[C@@H]1C[C@H]2CC[C@@H](C1)C2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.52
FABP1 P07148 1/20 0.51

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
SCHEMBL17839891 0.89 NR1H4 (0.54) NR1H4FABP1
SCHEMBL17839893 0.89 NR1H4 (0.54) NR1H4FABP1
SCHEMBL17856126 0.89 NR1H4 (0.54) NR1H4FABP1
SCHEMBL17859521 0.85 NR1H4 (0.49) NR1H4FABP1
SCHEMBL17839433 0.85 NR1H4 (0.53) NR1H4FABP1
SCHEMBL22790285 0.85 NR1H4 (0.51) NR1H4FABP1
SCHEMBL17848929 0.85 NR1H4 (0.53) NR1H4FABP1
SCHEMBL19309759 0.85 NR1H4 (0.55) NR1H4FABP1
SCHEMBL23730806 0.82 NR1H4 (0.55) NR1H4
SCHEMBL22660083 0.81 NR1H4 (0.54) NR1H4FABP1

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-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 NR1H4 1/4885FABP1 20/4885

“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.