SCHEMBL498015

SCHEMBL498015

Cc1cc(OCc2c(C(C)C)nnn2-c2c(F)cccc2Cl)ccc1C(C)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.51
DHODH Q02127 4/20 0.36
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CCNK O75909 1/20 0.32
CCND3 P30281 1/20 0.32
GSK3B P49841 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK12 Q9NYV4 1/20 0.32

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
SCHEMBL498139 0.93 NR1H4 (0.57) NR1H4KMT2AL3MBTL1CCNKCCND3
SCHEMBL498488 0.86 NR1H4 (0.54) NR1H4DHODHKMT2ARAB9AL3MBTL1
SCHEMBL3150227 0.85 NR1H4 (0.59) NR1H4RAB9A
SCHEMBL3150919 0.81 NR1H4 (0.61) NR1H4
SCHEMBL497662 0.80 NR1H4 (0.56) NR1H4KMT2ARAB9ACCNKCCND3
SCHEMBL3164115 0.79 NR1H4 (0.79) NR1H4KMT2A
SCHEMBL3164111 0.79 NR1H4 (0.79) NR1H4KMT2A
SCHEMBL498149 0.79 NR1H4 (0.56) NR1H4KMT2ARAB9ACCNKCCND3
SCHEMBL497577 0.79 NR1H4 (0.60) NR1H4KMT2AL3MBTL1CCNKCCND3
SCHEMBL498760 0.79 NR1H4 (0.58) 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 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 1/4885DHODH 1950/4885KMT2A 4324/4885

“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.