SCHEMBL19631272

SCHEMBL19631272

CN(C)CCOP(=O)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MVD P53602 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DNM1 Q05193 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
SCHEMBL3029332 0.79 CYP3A4 (0.46) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7132609 0.77 CHRM2 (0.39) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1642999 0.75 LPAR3 (0.46) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL11178967 0.75 CHRNB2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL7873122 0.75 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL10937857 0.75 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL7456978 0.75 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL30946964 0.74 TP53 (0.56) TP53TDP1ALDH1A1
SCHEMBL15150921 0.73 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL15263479 0.73 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2

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-20170333575-A1 POLYMER AND CONTRAST AGENT FOR PHOTOACOUSTIC IMAGING INCLUDING THE POLYMER CANON KABUSHIKI KAISHA (JP) 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 (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-20170333575-A1 POLYMER AND CONTRAST AGENT FOR PHOTOACOUSTIC IMAGING INCLUDING THE POLYMER PHOSPHO1, PCTP, PAICS TP53 1311/4885TDP1 3612/4885CHRM2 4035/4885

“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.