SCHEMBL21156448

SCHEMBL21156448

CC(C)CCCCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRS3 P32247 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
KIF11 P52732 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FLT3 P36888 1/20 0.44
ELOVL1 Q9BW60 1/20 0.44
PSMB5 P28074 1/20 0.43
GRM2 Q14416 1/20 0.42
MMP12 P39900 1/20 0.42
CYP11B2 P19099 1/20 0.41

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
SCHEMBL21157758 0.83 GRM2 (0.39) ALDH1A1GRM2
SCHEMBL15060898 0.83 TDP1 (0.67) CYP2A6MKNK1MKNK2CYP3A4CYP2D6
SCHEMBL13527201 0.81 TDP1 (0.65) CYP2A6MKNK1MKNK2CYP3A4CYP2D6
SCHEMBL7760926 0.81 TDP1 (0.64) CYP2A6TDP1L3MBTL1HRH1
SCHEMBL12435674 0.81 CYP3A4 (0.64) CYP2A6MKNK1MKNK2CYP3A4CYP2D6
SCHEMBL14080858 0.80 CYP2A6 (0.67) CYP2A6MKNK1MKNK2CYP3A4CYP2D6
SCHEMBL12413787 0.79 MKNK1 (0.61) CYP2A6MKNK1MKNK2CYP3A4CYP2D6
SCHEMBL35988 0.79 CYP2A6 (0.61) CYP2A6MKNK1MKNK2CYP3A4CYP2D6
SCHEMBL13526969 0.79 CYP2A6 (0.53) CYP2A6MKNK1MKNK2CYP3A4CYP2D6
SCHEMBL20888564 0.78 CYP2A6 (0.56) CYP2A6MKNK1MKNK2CYP3A4CYP2D6

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CYP2A6 980/4885MKNK1 2558/4885MKNK2 2709/4885

“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.