SCHEMBL17839653

SCHEMBL17839653

OCc1c(-c2c(C(F)F)cccc2C(F)F)noc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
NR1H4 Q96RI1 19/20 0.41
FABP1 P07148 6/20 0.39
FABP4 P15090 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37

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
SCHEMBL17839919 0.87 NR1H4 (0.40) NR1H4FABP1FABP4HSD17B13
SCHEMBL17839459 0.86 RET (0.41) RETNR1H4HSD17B13
SCHEMBL20031245 0.82 NR1H4 (0.45) RETNR1H4FABP1FABP4
SCHEMBL19900204 0.82 NR1H4 (0.52) RETNR1H4FABP1
SCHEMBL29385188 0.82 NR1H4 (0.52) RETNR1H4FABP1
SCHEMBL1096115 0.80 NR1H4 (0.58) NR1H4FABP1FABP4HSD17B13
SCHEMBL17839774 0.80 NR1H4 (0.47) RETNR1H4FABP1FABP4
SCHEMBL19899990 0.78 NR1H4 (0.49) RETNR1H4FABP1FABP4
SCHEMBL19230638 0.77 NR1H4 (0.41) RETNR1H4FABP1FABP4HSD17B13
SCHEMBL17839979 0.77 NR1H4 (0.47) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-10-25 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US 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
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 RET 601/4885NR1H4 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.