SCHEMBL20064057

SCHEMBL20064057

CCCNC(=O)c1ccc(C)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
MAPK14 Q16539 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
ESRRG P62508 1/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.46
PDK2 Q15119 1/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL20073521 0.88 HPGD (0.53) L3MBTL1ALDH1A1POLBMAPK14SMN1; SMN2
SCHEMBL12068769 0.88 PTGS1 (0.49) PTGS1PTGS2ALDH1A1MAPK14ESRRG
SCHEMBL14454205 0.87 ALDH1A1 (0.59) L3MBTL1ALDH1A1POLBMAPK14SMN1; SMN2
SCHEMBL20206539 0.83 CNR2 (0.52) ALDH1A1MAPK14ESRRGKMT2AHPGD
SCHEMBL13753150 0.82 KMT2A (0.60) L3MBTL1ALDH1A1POLBMAPK14SMN1; SMN2
SCHEMBL20978224 0.80 MAPK14 (0.44) L3MBTL1ALDH1A1POLBMAPK14SMN1; SMN2
SCHEMBL11631713 0.80 GAA (0.60) L3MBTL1PTGS1PTGS2ALDH1A1POLB
SCHEMBL20064048 0.79 HDAC6 (0.46) MAPK14SMN1; SMN2KDM4EGAAHPGD
SCHEMBL20064055 0.79 KMT2A (0.62) L3MBTL1ALDH1A1POLBKDM4EKMT2A
SCHEMBL18432597 0.78 MAPT (0.56) L3MBTL1ALDH1A1POLBMAPK14SMN1; SMN2

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-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 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-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 L3MBTL1 2788/4885PTGS1 2481/4885PTGS2 2841/4885

“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.