SCHEMBL22057166

SCHEMBL22057166

CCCC(CC)Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
DAO P14920 1/20 0.40
GRM2 Q14416 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL22057298 0.88 CETP (0.46) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL23095166 0.84 CETP (0.48) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL14402392 0.83 CETP (0.58) CETPCHRM2CHRM1CHRM3GRM2
SCHEMBL13849933 0.83 CETP (0.58) CETPCHRM2CHRM1CHRM3GRM2
SCHEMBL13849901 0.83 CETP (0.58) CETPCHRM2CHRM1CHRM3GRM2
SCHEMBL14402454 0.81 CETP (0.55) CETPCHRM2CHRM1CHRM3
SCHEMBL18896317 0.81 CETP (0.48) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL2662597 0.79 CETP (0.51) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL22849934 0.78 CETP (0.47) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL178310 0.78 CHRM2 (0.55) CETPCHRM2CHRM1CHRM3CARM1

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-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 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 (2 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-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 CETP 60/4885CHRM2 1892/4885CHRM1 2161/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 CETP 58/4885CHRM2 2001/4885CHRM1 2238/4885

“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.