SCHEMBL9957338

SCHEMBL9957338

Cc1ccccc1-c1noc(C2CC2)c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
NR1H4 Q96RI1 13/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
LMNA P02545 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
ATM Q13315 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
SCHEMBL17848880 0.89 RET (0.42) RETNR1H4HSD17B13GPBAR1CYP3A4
SCHEMBL9957636 0.86 LMNA (0.39) NR1H4HSD17B13LMNAGPBAR1MEN1
SCHEMBL17839802 0.84 RET (0.42) RETNR1H4HSD17B13GPBAR1
SCHEMBL17839774 0.84 NR1H4 (0.47) RETNR1H4
SCHEMBL24598908 0.83 GPBAR1 (0.51) RETNR1H4HSD17B13LMNAGPBAR1
SCHEMBL30605725 0.83 GPBAR1 (0.51) RETNR1H4HSD17B13LMNAGPBAR1
SCHEMBL19309611 0.81 RET (0.40) RETNR1H4HSD17B13GPBAR1
SCHEMBL17839459 0.80 RET (0.41) RETNR1H4HSD17B13GPBAR1
SCHEMBL19202559 0.80 NR1H4 (0.57) NR1H4
SCHEMBL29384878 0.80 NR1H4 (0.57) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295141-A1 FXR SMALL MOLECULE AGONIST, THE PREPARATION AND USE THEREOF CASCADE PHARMACEUTICALS, INC. (CN) 2023-09-21 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
WO-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 WO disclosed
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20140039007-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS TULLY DAVID C (US) 2014-02-06 US disclosed
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-12-12 US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 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 (5 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-20230295141-A1 FXR SMALL MOLECULE AGONIST, THE PREPARATION AND USE THEREOF FXR1, NR1H4, FXR2 RET 587/4885NR1H4 2/4885HSD17B13 292/4885
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R RET 263/4885NR1H4 1/4885HSD17B13 470/4885
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 RET 1033/4885NR1H4 1/4885HSD17B13 148/4885
US-20140039007-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 RET 886/4885NR1H4 1/4885HSD17B13 77/4885
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 RET 1139/4885NR1H4 1/4885HSD17B13 113/4885

“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.