SCHEMBL21389872

SCHEMBL21389872

CCCNc1ccc(OP(=O)(O)Oc2ccc(NCCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MAPT P10636 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
BLM P54132 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CXCL12 P48061 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL21389869 0.90 SCN5A (0.47) GAAMAPTCES2CES1SMN1; SMN2
SCHEMBL21389877 0.90 BLM (0.53) GAAMAPTSMN1; SMN2BLMCYP2C19
SCHEMBL20315398 0.80 BLM (0.50) GAAMAPTSMN1; SMN2BLMCYP2C19
SCHEMBL21389886 0.77 LMNA (0.46) MAPTCA2CA4CA5AMEN1
SCHEMBL21389873 0.77 LMNA (0.47) MAPTMEN1KMT2AABCB11CYP3A4
SCHEMBL1924747 0.74 MAPT (0.57) GAAMAPTCA1CA2CA9
SCHEMBL613598 0.74 GAA (0.79) GAAMAPTCA12CA1CA2
SCHEMBL14369512 0.72 BLM (0.45) GAAMAPTSMN1; SMN2BLMCYP2C19
Butane SCHEMBL924011 0.72 SRC (0.59) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL21389870 0.72 NQO1 (0.58) CES2CES1SMN1; SMN2BLMCYP2C19

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-10862169-B2 Phosphorus electrolytic solution containing magnesium ions FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-12-08 US disclosed
US-20190296396-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-09-26 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-10862169-B2 Phosphorus electrolytic solution containing magnesium ions PEF1, RER1, AFF1 GAA 3578/4885MAPT 4791/4885CES2 1928/4885
US-20190296396-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS PEF1, RER1, AFF1 GAA 3578/4885MAPT 4791/4885CES2 1928/4885

“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.