SCHEMBL19565375

SCHEMBL19565375

[C-]#[N+]CCOP(=S)(OC[C@H]1O[C@@H](n2cc(C)c(=O)n(C(=O)c3cc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)c2=O)CC1O[Si](C)(C)C(C)(C)C)OC1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.35
TK1 P04183 4/20 0.34
TK2 O00142 1/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 4/20 0.32
RNASE1 P07998 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
SCHEMBL19565366 0.83 TOP2A (0.32) TOP2ATK2
SCHEMBL17231013 0.80 RNASE1 (0.39) TK1TK2RNASE1
SCHEMBL19565363 0.80 CA12 (0.35) TK1TK2POLBRNASE1
SCHEMBL17231062 0.78 TYMS (0.37) POLB
SCHEMBL17231081 0.78 TYMS (0.37) POLB
SCHEMBL17231011 0.76 RNASE1 (0.34) POLBRNASE1
SCHEMBL18848628 0.69 POLB (0.55) TK1TK2POLBRNASE1
SCHEMBL10079072 0.69 TOP2A (0.54) TOP2ATK1RNASE1
SCHEMBL14788961 0.69 TOP2A (0.54) TOP2ATK1RNASE1
SCHEMBL889593 0.69 TOP2A (0.54) TOP2ATK1RNASE1

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-20170320904-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED AJINOMOTO CO., INC. (JP) 2017-11-09 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-20170320904-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED SP1, MED25, CTCF TOP2A 1010/4885TK1 1519/4885TK2 1838/4885

“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.