SCHEMBL4038562

SCHEMBL4038562

COc1cccc(C(=O)CCc2c(Br)cccc2Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PARP1 P09874 1/20 0.51
HSD11B1 P28845 3/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
NPC1 O15118 3/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD1 P21728 1/20 0.48

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
SCHEMBL14148109 0.85 PDE4A (0.46) CTNNB1WNT3ATDP1MAPTNPC1
SCHEMBL4037445 0.83 KAT6A (0.46) ALDH1A1MAPTHSD11B1HDAC3HDAC1
SCHEMBL31557732 0.81 CES2 (0.61) CES2CES1CTNNB1WNT3ATDP1
SCHEMBL4041375 0.80 MAPT (0.41) CTNNB1WNT3ATDP1ALDH1A1MAPT
SCHEMBL8098826 0.80 PARP1 (0.65) CES2CES1CTNNB1WNT3ATDP1
SCHEMBL4637827 0.80 CES2 (0.62) CES2CES1CTNNB1WNT3ATDP1
SCHEMBL8269548 0.80 HSD11B1 (0.64) CES2CES1CTNNB1WNT3ATDP1
SCHEMBL19984838 0.80 CES2 (0.62) CES2CES1CTNNB1WNT3ATDP1
SCHEMBL4035219 0.79 TDP1 (0.52) CES1CTNNB1WNT3ATDP1ALDH1A1
SCHEMBL4039244 0.79 CTNNB1 (0.49) CES2CES1CTNNB1WNT3AMAPT

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 7 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
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
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 CES2 39/4885CES1 3/4885CTNNB1 3137/4885

“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.