SCHEMBL4956933

SCHEMBL4956933

Nc1cccc2cnn(OCc3ccccc3)c12.Oc1cccc2cnn(O)c12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DHFR P00374 2/20 0.30

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
SCHEMBL5316072 0.88 RECQL (0.37) RECQLMAPTDHFR
SCHEMBL4955540 0.86 RECQL (0.36) RECQLMAPTNPSR1
SCHEMBL4955274 0.75 IDO1 (0.37) MAPTNPSR1DHFR
SCHEMBL4955153 0.75 IDO1 (0.37) MAPTNPSR1DHFR
SCHEMBL5270904 0.75 KDM4E (0.39) RECQLMAPTNPSR1
SCHEMBL4951850 0.73 CYP3A4 (0.37) RECQL
SCHEMBL4956832 0.72 NPSR1 (0.36) RECQLMAPTNPSR1DHFR
SCHEMBL4951478 0.72 DHFR (0.40) MAPTDHFR
SCHEMBL4913815 0.71 DHFR (0.38) MAPTNPSR1DHFR
SCHEMBL3532871 0.71 RECQL (0.53) RECQLMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C RECQL 3163/4885MAPT 1139/4885NPSR1 4526/4885

“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.