SCHEMBL12168917

SCHEMBL12168917

CCc1c(-c2c(Cl)cccc2Cl)noc1CCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
NR1H4 Q96RI1 6/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL12168922 0.88 GHSR (0.49) GHSRSCN5ASCN9ANR1H4ALDH1A1
SCHEMBL3638644 0.83 GHSR (0.50) GHSRSCN5ASCN9ANR1H4ALDH1A1
SCHEMBL4335252 0.82 GHSR (0.50) GHSRSCN5ASCN9ANR1H4ALDH1A1
SCHEMBL12168916 0.79 SCN9A (0.43) GHSRSCN5ASCN9ANR1H4ALDH1A1
SCHEMBL3638890 0.78 GHSR (0.48) GHSRSCN5ASCN9ANR1H4ALDH1A1
SCHEMBL12168915 0.77 TDP1 (0.55) GHSRNR1H4ALDH1A1L3MBTL1TSHR
SCHEMBL12168892 0.77 POLB (0.46) GHSRSCN5ASCN9ANR1H4ALDH1A1
SCHEMBL16230424 0.76 GHSR (0.52) GHSRALDH1A1L3MBTL1TSHRTDP1
SCHEMBL3637567 0.75 GHSR (0.51) GHSRSCN5ASCN9ANR1H4ALDH1A1
SCHEMBL12188517 0.75 GHSR (0.39) GHSRSCN9ANR1H4ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952042-B2 FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2015-02-10 US disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 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-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GHSR 385/4885SCN5A 2662/4885SCN9A 4060/4885

“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.