SCHEMBL16280438

SCHEMBL16280438

CCCCN(CC)c1cc2c(cc1CN(Cc1cc(Cl)cc(Cl)c1)C(=O)O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PARP1 P09874 1/20 0.31
F2 P00734 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL5148388 0.91 NR1H2 (0.38) CNR2NR1H2NR1H3MAPK1MAPT
SCHEMBL1901739 0.89 NR1H2 (0.35) CNR2NR1H2NR1H3MAPK1ALDH1A1
SCHEMBL5670396 0.83 CYP3A4 (0.35) NR1H2NR1H3MAPK1MAPTTP53
SCHEMBL5668906 0.82 CYP3A4 (0.35) CNR2NR1H2NR1H3MAPK1PARP1
SCHEMBL1898176 0.81 CETP (0.41) NR1H2NR1H3
SCHEMBL5670858 0.80 LIMK1 (0.40) MAPK1ALDH1A1TMEM97SIGMAR1L3MBTL1
SCHEMBL5669136 0.79 CETP (0.34) MAPK1MAPTRXRARXRG
SCHEMBL16279276 0.79 GPBAR1 (0.36) MAPK1MAPT
SCHEMBL16279737 0.79 GPBAR1 (0.38)
SCHEMBL5671315 0.79 CYP3A4 (0.43) MAPK1ALDH1A1MAPTTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 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-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CNR2 2249/4885NR1H2 30/4885NR1H3 33/4885

“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.