SCHEMBL12709258

SCHEMBL12709258

C/C(=C\c1cc(C)c(C)cc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.35
F10 P00742 1/20 0.33
MTOR P42345 1/20 0.30
SLC9A1 P19634 1/20 0.30
SLC9A3 P48764 1/20 0.30
PELI1 Q96FA3 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1277249 0.90 F10 (0.36) HSD17B1F10PELI1HSD17B10
SCHEMBL1277164 0.88 BACE1 (0.38) HSD17B1F10PELI1HSD17B10
SCHEMBL12709241 0.87 BAZ2B (0.34) HSD17B1F10PELI1SMN1; SMN2
SCHEMBL1277438 0.87 SLC9A3 (0.40) HSD17B1F10SLC9A1SLC9A3PELI1
SCHEMBL1277392 0.86 HSD17B1 (0.36) HSD17B1F10SLC9A1SLC9A3PELI1
SCHEMBL1277366 0.86 HSD17B1 (0.33) HSD17B1F10PELI1HSD17B10
SCHEMBL1277316 0.85 MGAM (0.39) HTTHSD17B10
SCHEMBL1277443 0.84 HSD17B1 (0.33) HSD17B1MTORSLC9A1SLC9A3
SCHEMBL1277265 0.83 DHODH (0.39) HSD17B1F10PELI1
SCHEMBL1277277 0.82 BACE1 (0.40) HSD17B1F10

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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HSD17B1 2621/4885F10 4727/4885MTOR 2979/4885

“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.