SCHEMBL19628206

SCHEMBL19628206

CN(CCOC(=O)C(C)(C)C)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 8/20 0.35
CHRM1 P11229 5/20 0.35
CHRM3 P20309 5/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PRKCA P17252 1/20 0.34
BCHE P06276 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL65921 0.88 POLB (0.41) POLBGAANPSR1CHRM2CHRM1
SCHEMBL15223078 0.83 NPSR1 (0.36) POLBGAANPSR1CHRM2CHRM1
SCHEMBL12120221 0.79 CHRM2 (0.56) POLBGAANPSR1CHRM2CHRM1
SCHEMBL16316499 0.78 CHRM2 (0.36) POLBGAANPSR1CHRM2CHRM1
SCHEMBL65194 0.77 CHRM2 (0.46) POLBGAANPSR1CHRM2CHRM1
SCHEMBL23477580 0.76 KDM4E (0.41) POLBGAANPSR1CHRM2CHRM1
SCHEMBL19832446 0.76 POLB (0.39) POLBGAANPSR1CHRM2CHRM1
SCHEMBL13166780 0.74 POLB (0.40) POLBGAANPSR1CHRM2CHRM1
SCHEMBL4258156 0.73 POLB (0.48) POLBGAANPSR1CHRM2CHRM1
SCHEMBL23476758 0.73 CYP4F2 (0.34) POLBGAANPSR1CHRM2CHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L POLB 230/4885GAA 971/4885NPSR1 3469/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L POLB 230/4885GAA 971/4885NPSR1 3469/4885

“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.