SCHEMBL4039244

SCHEMBL4039244

O=C(CCc1c(Br)cccc1Br)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.49
WNT3A P56704 4/20 0.49
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
HSD11B1 P28845 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL13526342 0.85 CTNNB1 (0.50) CTNNB1WNT3ACES2CES1HSD11B1
SCHEMBL4035219 0.82 TDP1 (0.52) CTNNB1WNT3ACES1HSD11B1HDAC1
SCHEMBL4035031 0.81 ERCC5 (0.50) HSD11B1PARP1MEN1NPC1KMT2A
SCHEMBL4041593 0.81 CES2 (0.53) CTNNB1WNT3ACES2MAPTHPGD
SCHEMBL4038562 0.79 CES2 (0.54) CTNNB1WNT3ACES2CES1HSD11B1
SCHEMBL14148109 0.79 PDE4A (0.46) CTNNB1WNT3AKDM4EMAPTHTT
SCHEMBL4041681 0.78 GSK3B (0.61) HSD11B1
SCHEMBL28128458 0.78 GPR52 (0.58) CTNNB1WNT3ACES2CES1HSD11B1
SCHEMBL29579853 0.78 GPR52 (0.58) CTNNB1WNT3ACES2CES1HSD11B1
SCHEMBL4037445 0.77 KAT6A (0.46) HSD11B1HDAC1MAPTHPGDHTT

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 CTNNB1 3137/4885WNT3A 3410/4885CES2 39/4885

“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.