SCHEMBL4038468

SCHEMBL4038468

CCOC(=O)C(Cc1c(-c2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-])C(=O)c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.37
SCN9A Q15858 1/20 0.37
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33

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
SCHEMBL4036061 0.81 CETP (0.39) CETPSCN9ADHODHNPC1RAB9A
SCHEMBL4035853 0.77 ALDH1A1 (0.42) SCN9AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12719913 0.74 CETP (0.40) CETPSCN9ADHODH
SCHEMBL4215678 0.71 SCN9A (0.41) CETPSCN9ADHODH
SCHEMBL4033040 0.71 DHODH (0.42) DHODHALDH1A1NPC1RAB9AMAPT
SCHEMBL5752325 0.71 CETP (0.45) CETPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4035341 0.70 TDP1 (0.46) DHODHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5755387 0.70 MDM2 (0.42) CETPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4215675 0.70 SCN9A (0.37) CETPSCN9ADHODH
SCHEMBL5750278 0.70 CETP (0.48) CETPL3MBTL1

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-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 CETP 1/4885SCN9A 3718/4885DHODH 1784/4885

“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.