SCHEMBL2771111

SCHEMBL2771111

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.58
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
FKBP1A P62942 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CARM1 Q86X55 1/20 0.34

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
SCHEMBL2770222 0.91 NR1H4 (0.56) NR1H4NPBWR1MCHR1KMT2AL3MBTL1
SCHEMBL2771482 0.88 NR1H4 (0.57) NR1H4NPBWR1MCHR1KMT2AKDM4E
SCHEMBL2773824 0.88 NR1H4 (0.56) NR1H4NPBWR1MCHR1MRGPRX4
SCHEMBL2770569 0.88 NR1H4 (0.56) NR1H4NPBWR1MCHR1L3MBTL1SMN1; SMN2
SCHEMBL2770298 0.88 NR1H4 (0.56) NR1H4NPBWR1MCHR1SMN1; SMN2
SCHEMBL3764857 0.86 NR1H4 (0.55) NR1H4NPBWR1MCHR1KMT2AKDM4E
SCHEMBL2770295 0.86 NR1H4 (0.55) NR1H4NPBWR1MCHR1MRGPRX4
SCHEMBL2770795 0.86 NR1H4 (0.59) NR1H4L3MBTL1GAAMRGPRX4
SCHEMBL2770725 0.86 NR1H4 (0.54) NR1H4NPBWR1MCHR1KMT2ASMN1; SMN2
SCHEMBL2770727 0.86 NR1H4 (0.54) NR1H4NPBWR1MCHR1KMT2AMEN1

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.