SCHEMBL4041593

SCHEMBL4041593

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
SRD5A2 P31213 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
ACHE P22303 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
RAB9A P51151 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
SCHEMBL31557727 0.82 CES2 (0.62) CES2CTNNB1WNT3AKMT2AMEN1
SCHEMBL4039244 0.81 CTNNB1 (0.49) CES2CTNNB1WNT3AKMT2AMEN1
SCHEMBL4037445 0.80 KAT6A (0.46) MAPTALDH1A1HPGDTAS1R3TAS1R1
SCHEMBL3732559 0.79 CES2 (0.56) CES2CTNNB1WNT3ASRD5A2POLB
SCHEMBL27952195 0.79 CES2 (0.56) CES2CTNNB1WNT3AKMT2AMEN1
SCHEMBL8384433 0.79 CTNNB1 (0.60) CES2CTNNB1WNT3AKMT2AMEN1
SCHEMBL4035219 0.78 TDP1 (0.52) CTNNB1WNT3AKMT2AMEN1MAPT
SCHEMBL4035031 0.78 ERCC5 (0.50) KMT2AMEN1THRATHRBSMN1; SMN2
SCHEMBL4309488 0.78 CES2 (0.57) CES2CTNNB1WNT3ASRD5A2POLB
SCHEMBL25348845 0.77 CES2 (0.61) CES2CTNNB1WNT3AKMT2AMEN1

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 39/4885CTNNB1 3137/4885WNT3A 3410/4885

“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.