SCHEMBL17839618

SCHEMBL17839618

O=C1[C@@H]2CC[C@H]1CC(OCc1c(-c3ccccc3OC(F)F)noc1C1CC1)C2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.57
HSD17B13 Q7Z5P4 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
SCHEMBL17848901 1.00 NR1H4 (0.57) NR1H4HSD17B13
SCHEMBL17839616 1.00 NR1H4 (0.57) NR1H4HSD17B13
SCHEMBL17856096 1.00 NR1H4 (0.57) NR1H4HSD17B13
SCHEMBL17848899 1.00 NR1H4 (0.57) NR1H4HSD17B13
SCHEMBL19189978 0.89 NR1H4 (0.56) NR1H4HSD17B13
SCHEMBL17839702 0.89 NR1H4 (0.54) NR1H4HSD17B13
SCHEMBL19189592 0.87 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL9957522 0.87 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL29555981 0.87 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL22654683 0.86 NR1H4 (0.64) NR1H4HSD17B13

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
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
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 1/4885HSD17B13 131/4885

“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.