SCHEMBL4418873

SCHEMBL4418873

NC=CCC1CC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.38
GLA P06280 1/20 0.36
CYP19A1 P11511 1/20 0.33
CRBN Q96SW2 3/20 0.31
DDB1 Q16531 1/20 0.31
FFAR1 O14842 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
SCHEMBL5570558 0.81 MAP3K14 (0.38) MAP3K14GLACYP19A1CRBNDDB1
SCHEMBL9052247 0.81 GLA (0.39) MAP3K14GLACYP19A1CRBNDDB1
SCHEMBL288567 0.76 ALDH1A1 (0.44) MAP3K14GLACYP19A1CRBNDDB1
SCHEMBL11604473 0.73 GLA (0.40) MAP3K14GLA
SCHEMBL11605802 0.73 ALDH1A1 (0.55)
SCHEMBL13378339 0.73
SCHEMBL17907172 0.72 MAP3K14 (0.48) MAP3K14GLACYP19A1CRBNDDB1
SCHEMBL10772583 0.72 ALDH1A1 (0.57) CYP19A1
SCHEMBL11605432 0.72 ALDH1A1 (0.57) CYP19A1
SCHEMBL11605605 0.72 ALDH1A1 (0.57) CYP19A1

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
CN-113825515-A Intracellular delivery of anti-KRAS antibodies formulated as nanocapsules 圣地亚哥德孔波斯特拉大学 2021-12-21 CN disclosed
US-20090165676-A1 BIS(N-SILYLALKYL)ASPARTIMIDES AND PROCESSES THEREFOR E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-02 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-20090165676-A1 BIS(N-SILYLALKYL)ASPARTIMIDES AND PROCESSES THEREFOR PCNA, BPHL, BYSL MAP3K14 1054/4885GLA 2459/4885CYP19A1 1912/4885

“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.