SCHEMBL4955071

SCHEMBL4955071

Nc1cccc2cnn(OCCO)c12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4955294 0.84 KDM4E (0.32) HEXAHEXB
SCHEMBL4954035 0.81 ALDH1A1 (0.34) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4949201 0.79
SCHEMBL5316072 0.77 RECQL (0.37)
SCHEMBL4953995 0.77 MKNK1 (0.36) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4952970 0.76 EP300 (0.35)
SCHEMBL4955235 0.75 MCHR1 (0.36) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4954091 0.73 HEXA (0.32) HEXAHEXB
SCHEMBL4955203 0.73 KDM4E (0.30)
SCHEMBL4916102 0.73

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 7 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO 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 HEXA 472/4885HEXB 757/4885LMNA 593/4885

“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.