SCHEMBL29318680

SCHEMBL29318680

CCOC(=O)/C=C/CC1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE8B O95263 1/20 0.38
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL29551042 0.96 PDE8B (0.42) MEN1KMT2AALDH1A1HSD17B10PDE8B
SCHEMBL4406008 0.96 PDE8B (0.42) MEN1KMT2AALDH1A1HSD17B10PDE8B
SCHEMBL29550324 0.96 PDE8B (0.42) MEN1KMT2AALDH1A1HSD17B10PDE8B
SCHEMBL4840050 0.83 PARP1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4843363 0.83 PARP1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12836925 0.82 HSD17B10 (0.42) MEN1KMT2AALDH1A1HSD17B10PDE8B
SCHEMBL1516365 0.82 HSD17B10 (0.42) MEN1KMT2AALDH1A1HSD17B10PDE8B
SCHEMBL4843374 0.81 PARP1 (0.36) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL5849346 0.80 HSD17B10 (0.45) MEN1KMT2AALDH1A1HSD17B10PDE8B
SCHEMBL5848840 0.80 HSD17B10 (0.45) MEN1KMT2AALDH1A1HSD17B10PDE8B

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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 US disclosed
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP MEN1 1130/4885KMT2A 3062/4885ALDH1A1 2904/4885

“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.