SCHEMBL31739752

SCHEMBL31739752

C=CCN(CCC(=O)C=C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CA14 Q9ULX7 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
DPP4 P27487 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL23624143 0.86 KMT2A (0.40) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL6538877 0.86 CA14 (0.39) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL3020149 0.83 CA14 (0.49) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL956549 0.83 ALDH1A1 (0.42) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL15942130 0.82 CA14 (0.38) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL15694959 0.82 CA14 (0.38) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL15668049 0.82 SSTR4 (0.41) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL3024404 0.82 CA14 (0.48) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL7941742 0.81 CA14 (0.37) ALDH1A1CA14HDAC6DPP4HDAC1
SCHEMBL1440925 0.81 ALDH1A1 (0.38) ALDH1A1CA14HDAC6DPP4HDAC1

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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3283/4885CA14 3865/4885HDAC6 3350/4885

“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.