SCHEMBL3828131

SCHEMBL3828131

O=P(O)(O)c1ccccc1[S]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ PTK2B Q14289 5/20 0.44
▸ POLB P06746 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALPG P10696 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SRC P12931 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL29733396 0.81 CA2 (0.55) CA2CA4CA5APTK2BPOLB
SCHEMBL2173729 0.81 CA2 (0.55) CA2CA4CA5APTK2BPOLB
SCHEMBL4956835 0.74 CA2 (0.48) CA2CA4CA5APTK2BPOLB
SCHEMBL1227487 0.72 CYP3A4 (0.52) CA2CA4CA5APTK2BPOLB
SCHEMBL846360 0.70 CA2 (0.44) CA2CA4CA5APTK2BPOLB
SCHEMBL343451 0.70 CA2 (0.44) CA2CA4CA5APTK2BPOLB
SCHEMBL3854285 0.70 CA2 (0.44) CA2CA4CA5APTK2BPOLB
SCHEMBL7812902 0.70 CA2 (0.44) CA2CA4CA5APTK2BPOLB
Potassium SCHEMBL11350259 0.70 CYP3A4 (0.50) CA2CA4CA5APTK2BPOLB
SCHEMBL3365510 0.70 CA2 (0.44) CA2CA4CA5APTK2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1522559-B1 WATER-SOLUBLE COMPLEX DYE, RECORDING FLUID, AND METHOD OF RECORDING MITSUBISHI CHEM CORP (JP) 2009-09-16 — — EP disclosed
US-7097700-B2 Water-soluble complex dye, recording fluid and recording method MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-29 — — US disclosed
US-7094280-B2 Water-soluble complex dye, recording fluid and recording method MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-22 — — US disclosed
US-7025815-B2 Water-soluble complex dye, recording fluid and recording method MITSUBISHI CHEMICAL CORPORATION (JP) 2006-04-11 — — US disclosed
US-20050109237-A1 Water-soluble complex dye, recording fluid and recording method MITSUBISHI CHEMICAL CORPORATION (JP) 2005-05-26 — — US disclosed
EP-1533345-A1 WATER-SOLUBLE COMPLEX DYE, RECORDING FLUID, AND METHOD OF RECORDING Mitsubishi Chemical Corporation (JP) 2005-05-25 — — EP disclosed
US-20050103225-A1 Water-soluble complex dye, recording fluid and recording method MITSUBISHI CHEMICAL CORPORATION (JP) 2005-05-19 — — US disclosed
US-20050081747-A1 Water-soluble complex dye, recording fluid and recording method MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-21 — — US disclosed
EP-1522559-A1 WATER-SOLUBLE COMPLEX DYE, RECORDING FLUID, AND METHOD OF RECORDING Mitsubishi Chemical Corporation (JP) 2005-04-13 — — EP disclosed
EP-1522558-A1 WATER-SOLUBLE COMPLEX DYE, RECORDING FLUID, AND METHOD OF RECORDING Mitsubishi Chemical Corporation (JP) 2005-04-13 — — EP 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-20050103225-A1 Water-soluble complex dye, recording fluid and recording method IK, ROR1, WNT1 CA2 633/4885CA4 1033/4885CA5A 1604/4885

“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.

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