SCHEMBL3275922

SCHEMBL3275922

Nc1cnn2c(O)ccnc12.Nc1cnn2ccc(O)nc12

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 14/20 0.45
CDK2 P24941 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
SCHEMBL127121 0.84 SMPD3 (0.43) SMPD3
SCHEMBL127192 0.84 SMPD3 (0.57) SMPD3
SCHEMBL3339272 0.83 SMPD3 (0.37) SMPD3
SCHEMBL7809356 0.80 SMPD3 (0.37) SMPD3
SCHEMBL24938786 0.67 KDM4E (0.36)
SCHEMBL125976 0.67 SMPD3 (0.50) SMPD3CDK2
SCHEMBL129183 0.67 SMPD3 (0.61) SMPD3
Hydrochloric Acid SCHEMBL6805756 0.66 SMPD3 (0.48) SMPD3CDK2
SCHEMBL22089810 0.65 SMPD3 (0.57) SMPD3
SCHEMBL13153941 0.65 KDM4E (0.56)

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-7695526-B2 Composition for the oxidation dyeing of keratin fibers, comprising, at least one oxidation dye, at least one fatty alcohol, at least one associative polymer, and at least one C14-C30 alkyl sulphate L'OREAL S.A. (FR) 2010-04-13 US disclosed
US-20080168609-A1 Composition for the oxidation dyeing of keratin fibers, comprising, at least one oxidation dye, at least one fatty alcohol, at least one associative polymer, and at least one C14-C30 alkyl sulphate L'OREAL S.A. 2008-07-17 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-20080168609-A1 Composition for the oxidation dyeing of keratin fibers, comprising, at least one oxidation dye, at least one fatty alcohol, at least one associative polymer, and at least one C14-C30 alkyl sulphate KRT18, ACAD10, AKR1B10 SMPD3 2567/4885CDK2 4645/4885

“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.