SCHEMBL4035853

SCHEMBL4035853

CCOC(=O)C(Cc1c(Br)cccc1Br)C(=O)c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 5/20 0.39
HTT P42858 2/20 0.37
BRAF P15056 2/20 0.36
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 3/20 0.35
DDR1 Q08345 1/20 0.34
SCN9A Q15858 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KAT6A Q92794 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
SCHEMBL5752325 0.80 CETP (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5750388 0.80 MAPK1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5755387 0.80 MDM2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5750278 0.79 CETP (0.48) MAPK1L3MBTL1TDP1TSHRLMNA
SCHEMBL5749378 0.77 MDM2 (0.48) ALDH1A1MAPTMAPK1L3MBTL1TDP1
SCHEMBL4038468 0.77 CETP (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5753775 0.76 MAPK14 (0.47) MAPK1L3MBTL1TDP1TSHR
SCHEMBL5755285 0.75 MAPK1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4035939 0.75 MMP8 (0.49) ALDH1A1MAPK1L3MBTL1TDP1TSHR
SCHEMBL4041375 0.74 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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 ALDH1A1 3257/4885NPC1 2/4885RAB9A 2981/4885

“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.