SCHEMBL13097068

SCHEMBL13097068

CC1(C)OC(=O)C(c2cc(-n3cc(Cl)cn3)ccc2Cl)=C1O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
RIPK2 O43353 2/20 0.32
CYP3A4 P08684 2/20 0.31
MAP4K4 O95819 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
ACLY P53396 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 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
SCHEMBL13097254 0.81 ALDH1A1 (0.36) RIPK2ALDH1A1
SCHEMBL13097112 0.80 ALDH1A1 (0.34) MAPTCYP3A4KDM4EALDH1A1KMT2A
SCHEMBL12129152 0.76 ALDH1A1 (0.32) MAPTNPC1RAB9ARIPK2CYP3A4
SCHEMBL13097119 0.76 NPY5R (0.32) MAPTRIPK2ALDH1A1HPGD
SCHEMBL13097113 0.75 RIPK2 (0.35) RIPK2GSK3B
SCHEMBL13097122 0.74 RIPK2 (0.32) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL13097072 0.71 RIPK2 (0.33) RIPK2CYP3A4MAP4K4MEN1KMT2A
SCHEMBL13097293 0.67 MEN1 (0.38) RIPK2ALDH1A1MEN1KMT2A
SCHEMBL12131407 0.67 GCGR (0.34) CYP3A4MAP4K4ALDH1A1MEN1KMT2A
SCHEMBL811925 0.66 PTGS2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
EP-1638957-B1 N-HETEROCYCLYL PHENYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2010-09-29 EP disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 MAPT 4552/4885NPC1 2841/4885RAB9A 4735/4885

“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.