SCHEMBL21652226

SCHEMBL21652226

CC(C)Oc1cccc(N(C)C(=O)c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 13/20 0.53
ACHE P22303 3/20 0.48
HSD17B1 P14061 12/20 0.47
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL21652268 0.89 HSD17B2 (0.54) HSD17B2HSD17B1MEN1HTTKMT2A
SCHEMBL21620317 0.83 HSD17B2 (0.59) HSD17B2HSD17B1MEN1GAAHTT
SCHEMBL11600210 0.80 HSD17B2 (0.53) HSD17B2HSD17B1MEN1GAAKMT2A
SCHEMBL21620308 0.79 HSD17B2 (0.65) HSD17B2HSD17B1HTTTP53
SCHEMBL21652269 0.78 HSD17B2 (0.46) HSD17B2HSD17B1
SCHEMBL7807816 0.76 ACHE (0.47) ACHEHDAC8MEN1GAAHTT
SCHEMBL6785538 0.75 RXRA (0.45) HSD17B2ACHEHSD17B1MEN1GAA
SCHEMBL21652219 0.75 HDAC8 (0.49) ACHEHDAC8HDAC6HTT
SCHEMBL21652172 0.74 BRAF (0.60) HDAC8HDAC6MEN1GAAHTT
SCHEMBL14518798 0.74 RXRA (0.44) HSD17B2ACHEHSD17B1MEN1GAA

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 HSD17B2 1351/4885ACHE 138/4885HSD17B1 1084/4885

“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.