SCHEMBL26291395

SCHEMBL26291395

C=C(OCC)c1ccc2c(c1)CCC2N(CC1(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GCGR P47871 2/20 0.30
GIPR P48546 1/20 0.30

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
SCHEMBL26291377 0.87 GCGR (0.33) GCGRGIPR
SCHEMBL26291385 0.82 DGAT1 (0.38)
SCHEMBL26291396 0.75 NFKB1 (0.34) NFKB1NFKB2RELAGCGRGIPR
SCHEMBL26291190 0.72 SMYD3 (0.39)
SCHEMBL31377655 0.70 DRD3 (0.38) GCGRGIPR
SCHEMBL26291402 0.70 NFKB1 (0.34) NFKB1NFKB2RELA
SCHEMBL17254360 0.68 MAPT (0.36) GCGRGIPR
SCHEMBL17241392 0.68 NPC1 (0.38) GCGRGIPR
SCHEMBL26291293 0.67 DRD2 (0.32) GCGRGIPR
SCHEMBL28062133 0.66 SRD5A2 (0.41) GCGRGIPR

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 NFKB1 2892/4885NFKB2 2549/4885RELA 2613/4885

“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.