SCHEMBL21729587

SCHEMBL21729587

CC(C)S(C(C)C)(C(C)C)n1ccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.38
LIPG Q9Y5X9 13/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
FFAR1 O14842 1/20 0.33
ESR2 Q92731 1/20 0.33
F11 P03951 1/20 0.32

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
SCHEMBL20768765 0.75 CA1 (0.40) LPLLIPGCA1CA2CA9
SCHEMBL25176691 0.73 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL14858152 0.73 PKM (0.48) LPLLIPGCA1CA2CA9
SCHEMBL14857832 0.72 CA1 (0.47) CA1CA2CA9CA12CA3
SCHEMBL28487 0.72 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL21999426 0.71
SCHEMBL24519347 0.71 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL28739 0.71 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL21201773 0.70 LPL (0.43) LPLLIPGCA1CA2CA9
SCHEMBL21999259 0.70

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-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents ZENJI RESEARCH LABORATORIES (CN) 2020-08-18 US disclosed
US-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS ZENJI RESEARCH LABORATORIES (CN) 2020-02-20 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 (2 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-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS CDC7, CDK7, CDK17 LPL 4879/4885LIPG 4562/4885CA1 4305/4885
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents CDC7, CDK7, CDK17 LPL 4879/4885LIPG 4562/4885CA1 4305/4885

“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.