SCHEMBL20049878

SCHEMBL20049878

CCCCCC(C)(CCCC)c1cnc(NC(C)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 11/20 0.43
▸ CDK2 P24941 11/20 0.43
▸ CCNE2 O96020 9/20 0.43
▸ CDK1 P06493 5/20 0.43
▸ CDK4 P11802 5/20 0.43
▸ CCNB2 O95067 4/20 0.43
▸ CCNB1 P14635 4/20 0.43
▸ CCND1 P24385 4/20 0.43
▸ CCNB3 Q8WWL7 4/20 0.43
▸ MAPK10 P53779 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ CCND2 P30279 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ LMNA P02545 3/20 0.39

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
SCHEMBL21389733 0.75 CCNE1 (0.49) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL18411096 0.75 CNR1 (0.33) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21650157 0.73 CNR1 (0.34) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22585244 0.73 CNR2 (0.32) —
SCHEMBL21369612 0.71 CCNE1 (0.45) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL22065923 0.70 L3MBTL1 (0.34) LMNARAB9A
SCHEMBL18948731 0.69 — —
SCHEMBL18867167 0.69 — —
SCHEMBL18135139 0.68 CDK2 (0.64) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL18950500 0.68 CNR1 (0.33) —

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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — 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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CCNE1 425/4885CDK2 77/4885CCNE2 908/4885

“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.

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