SCHEMBL2770779

SCHEMBL2770779

CO/C=C/c1ccc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)cc1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 19/20 0.60
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.31
FABP1 P07148 1/20 0.31
THRB P10828 1/20 0.31
LIFR P42702 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B13 Q7Z5P4 1/20 0.31

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
SCHEMBL2770783 1.00 NR1H4 (0.60) NR1H4NPBWR1MCHR1MEN1FABP1
SCHEMBL2772049 0.88 NR1H4 (0.62) NR1H4NPBWR1MCHR1
SCHEMBL2770298 0.82 NR1H4 (0.56) NR1H4NPBWR1MCHR1
SCHEMBL2771111 0.82 NR1H4 (0.58) NR1H4NPBWR1MCHR1MEN1KMT2A
SCHEMBL2770569 0.82 NR1H4 (0.56) NR1H4NPBWR1MCHR1
SCHEMBL2769786 0.82 NR1H4 (0.88) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2769788 0.82 NR1H4 (0.88) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2770222 0.82 NR1H4 (0.56) NR1H4NPBWR1MCHR1KMT2A
SCHEMBL2771430 0.82 NR1H4 (0.54) NR1H4NPBWR1MCHR1
SCHEMBL2771427 0.82 NR1H4 (0.54) NR1H4NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885NPBWR1 348/4885MCHR1 1417/4885

“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.