SCHEMBL4037445

SCHEMBL4037445

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.46
DDR1 Q08345 1/20 0.42
FFAR1 O14842 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NAMPT P43490 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL4041375 0.89 MAPT (0.41) KAT6AHDAC8ALDH1A1MAPTHTT
SCHEMBL14148109 0.85 PDE4A (0.46) GAAMAPTHTTMRGPRX4
SCHEMBL4038562 0.83 CES2 (0.54) HDAC8ALDH1A1MAPTHTTHDAC3
SCHEMBL4041593 0.80 CES2 (0.53) TAS1R3TAS1R1ALDH1A1MAPTHPGD
SCHEMBL2091938 0.79 KAT6A (0.50) KAT6AFFAR1HDAC8TAS1R3TAS1R1
SCHEMBL19707232 0.79 KAT6A (0.50) KAT6ADDR1FFAR1HDAC8TAS1R3
SCHEMBL29393449 0.79 KAT6A (0.52) KAT6ADDR1HDAC8TAS1R3TAS1R1
SCHEMBL311472 0.79 KAT6A (0.52) KAT6ADDR1HDAC8TAS1R3TAS1R1
SCHEMBL3740908 0.78 MAOB (0.52) KAT6AFFAR1ALDH1A1MAPTMRGPRX4
SCHEMBL3142098 0.78 KAT6A (0.49) KAT6ADDR1FFAR1HDAC8TAS1R3

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 KAT6A 374/4885DDR1 4729/4885FFAR1 1364/4885

“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.