SCHEMBL4035939

SCHEMBL4035939

CCOC(=O)C(Cc1c(Br)cccc1Br)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.49
PIN1 Q13526 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
TSHR P16473 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPHX2 P34913 1/20 0.40
F2R P25116 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 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
SCHEMBL14147393 0.93 MMP8 (0.50) MMP8PIN1TDP1TSHRMAPK1
SCHEMBL9956609 0.89 KMT2A (0.45) MMP8PIN1TDP1TSHRALDH1A1
SCHEMBL11526043 0.85 MMP8 (0.41) MMP8PIN1TDP1TSHRMAPK1
SCHEMBL16218019 0.82 TDP1 (0.50) MMP8PIN1TDP1TSHRMAPK1
SCHEMBL2386210 0.81 MMP8 (0.51) MMP8PIN1TDP1TSHRALDH1A1
SCHEMBL21787513 0.80 KMT2A (0.41) MMP8PIN1TDP1TSHRMAPK1
SCHEMBL21777424 0.80 KMT2A (0.41) MMP8PIN1TDP1TSHRMAPK1
SCHEMBL5736978 0.79 KMT2A (0.50) MMP8TDP1TSHRMAPK1L3MBTL1
SCHEMBL9054624 0.78 TDP1 (0.47) MMP8TDP1TSHRMAPK1L3MBTL1
SCHEMBL1294071 0.76 MMP8 (0.44) MMP8PIN1TDP1TSHRMAPK1

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 MMP8 2998/4885PIN1 3840/4885TDP1 649/4885

“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.