SCHEMBL496925

SCHEMBL496925

CC(=O)c1ccc(OCc2c(C(C)C)nnn2-c2c(Cl)cccc2Cl)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.53
MRGPRX4 Q96LA9 4/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB2 P07550 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SYK P43405 2/20 0.35
VDR P11473 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
SCHEMBL3164122 0.87 NR1H4 (0.57) NR1H4MRGPRX4VDR
SCHEMBL498233 0.85 NR1H4 (0.62) NR1H4MAPTALDH1A1L3MBTL1
SCHEMBL498196 0.83 NR1H4 (0.48) NR1H4MRGPRX4FFAR1FFAR4
SCHEMBL497577 0.83 NR1H4 (0.60) NR1H4MRGPRX4MAPTALDH1A1GAA
SCHEMBL3168943 0.82 NR1H4 (0.56) NR1H4MRGPRX4VDR
SCHEMBL3168928 0.81 NR1H4 (0.53) NR1H4MRGPRX4VDR
SCHEMBL3168921 0.80 NR1H4 (0.55) NR1H4MRGPRX4
SCHEMBL3168908 0.79 NR1H4 (0.54) NR1H4MRGPRX4MEN1KMT2A
SCHEMBL3159623 0.77 NR1H4 (0.47) NR1H4FFAR1FFAR4
SCHEMBL498488 0.77 NR1H4 (0.54) NR1H4MAPTALDH1A1GAAL3MBTL1

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
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885MRGPRX4 268/4885MAPT 4429/4885

“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.