SCHEMBL21652225

SCHEMBL21652225

CC(C)Oc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.68
TP53 P04637 3/20 0.62
F2 P00734 1/20 0.62
PLG P00747 1/20 0.62
PLAU P00749 1/20 0.62
PLAT P00750 1/20 0.62
KLKB1 P03952 1/20 0.62
PRSS1 P07477 1/20 0.62
KCNK3 O14649 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 4/20 0.61
HDAC3 O15379 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 3/20 0.59
PKM P14618 1/20 0.59
MEN1 O00255 3/20 0.59

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
SCHEMBL21652172 0.89 BRAF (0.60) KCNK9TP53F2PLGPLAU
SCHEMBL4254168 0.87 TP53 (0.80) KCNK9TP53KCNK3SMN1; SMN2MAPT
SCHEMBL9640342 0.87 PLAU (0.66) KCNK9TP53F2PLGPLAU
SCHEMBL21620321 0.86 CYP1A2 (0.66) KCNK9TP53F2PLGPLAU
SCHEMBL23367928 0.85 RAB9A (0.75) KCNK9TP53F2PLGPLAU
SCHEMBL12201930 0.85 KCNK9 (0.74) KCNK9TP53PLAUKCNK3SMN1; SMN2
SCHEMBL7294862 0.84 TRPV1 (0.68) TP53SMN1; SMN2MAPTHDAC3HDAC8
SCHEMBL7295349 0.84 MAPT (0.72) KCNK9TP53PLAUKCNK3SMN1; SMN2
SCHEMBL13989073 0.82 PLAU (0.55) TP53F2PLGPLAUPLAT
SCHEMBL13988821 0.82 PLAU (0.55) KCNK9TP53F2PLGPLAU

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-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 KCNK9 2816/4885TP53 3378/4885F2 2249/4885

“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.