SCHEMBL26291387

SCHEMBL26291387

CC(C)(C)OC(=O)C1(CNC2CCc3cc(Br)ccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.40
DGAT1 O75907 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
SCN3A Q9NY46 1/20 0.35
USP30 Q70CQ3 1/20 0.34
SRD5A1 P18405 1/20 0.34
BACE1 P56817 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
BDKRB1 P46663 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL26291191 0.86 CCR2 (0.39) CCR2TRPV1CA12CA7CA14
SCHEMBL31730420 0.82 CCR2 (0.41) CCR2TRPV1SCN3ABACE1AAK1
SCHEMBL26291385 0.78 DGAT1 (0.38) CCR2DGAT1USP30SRD5A1BACE1
SCHEMBL8180722 0.77 TRPV1 (0.46) CCR2TRPV1CA12CA7CA14
SCHEMBL21178364 0.77 TRPV1 (0.46) CCR2TRPV1CA12CA7CA14
SCHEMBL31055885 0.77 TRPV1 (0.46) CCR2TRPV1CA12CA7CA14
SCHEMBL5269808 0.77 TRPV1 (0.46) CCR2TRPV1CA12CA7CA14
SCHEMBL29652278 0.77 TRPV1 (0.46) CCR2TRPV1CA12CA7CA14
SCHEMBL16939925 0.74 SRD5A1 (0.38) CCR2TRPV1SRD5A1ACHE
SCHEMBL26291185 0.72 SMYD3 (0.41) CA12CA7CA14CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 US disclosed
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 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-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF CYP11B2, ALDH7A1, CYP11B1 CCR2 4388/4885DGAT1 2858/4885TRPV1 3384/4885

“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.