SCHEMBL21389873

SCHEMBL21389873

CCCNc1ccc(P(=O)(O)c2ccc(NCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
TRPA1 O75762 4/20 0.40
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CYP1A2 P05177 2/20 0.38
GGPS1 O95749 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
IDO1 P14902 1/20 0.36
SRC P12931 1/20 0.36
FDPS P14324 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21389871 0.89 SCN5A (0.47) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL21389886 0.89 LMNA (0.46) LMNATRPA1MAPTHDAC3HDAC1
SCHEMBL1924747 0.78 MAPT (0.57) MAPTIDO1MEN1KMT2A
SCHEMBL21389887 0.78 SCN5A (0.47) LMNATSHRCYP1A2GGPS1ABCB11
SCHEMBL21389872 0.77 GAA (0.44) MAPTABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21389877 0.77 BLM (0.53) MAPTABCB11CYP3A4ADRA2BOPRD1
SCHEMBL4975464 0.73 MAPT (0.46) LMNATRPA1MAPTHDAC3HDAC1
SCHEMBL1955932 0.73 MAPT (0.53) TSHRMAPTCYP3A4IDO1MEN1
SCHEMBL28391329 0.73 MAPT (0.46) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL82488 0.72 ALDH1A1 (0.49) LMNATRPA1HDAC3HDAC1HDAC2

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 LMNA 2199/4885TSHR 748/4885TRPA1 1256/4885
US-20190296396-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS PEF1, RER1, AFF1 LMNA 2199/4885TSHR 748/4885TRPA1 1256/4885

“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.