SCHEMBL4956906

SCHEMBL4956906

OCCNn1ncc2cccc(O)c21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ADRA2A P08913 3/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NTRK1 P04629 1/20 0.32
NGFR P08138 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
HTR2A P28223 1/20 0.30
GBA1 P04062 1/20 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
SCHEMBL4956856 0.84 ADRA2A (0.37) KDM4EADRA2AADRA2BADRA2CMAPKAPK2
SCHEMBL4956885 0.83 KDM4E (0.33) KDM4EALDH1A1POLBGAAADRA2A
SCHEMBL4955376 0.79 PKM (0.37) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL4951884 0.77 KDM4E (0.39) KDM4EADRA2AADRA2BADRA2CMAPKAPK2
SCHEMBL4956067 0.76 TSHR (0.33) KDM4EALDH1A1POLBGAAADRA2A
SCHEMBL4953946 0.73 ADRA2A (0.36) KDM4EADRA2AADRA2BADRA2CMAPKAPK2
SCHEMBL4956712 0.73 KDM4E (0.41) KDM4EALDH1A1POLBADRA2AADRA2B
SCHEMBL4959800 0.73 EP300 (0.35)
SCHEMBL4954399 0.72 KDM4E (0.31) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL4955318 0.71 KDM4E (0.33) KDM4EALDH1A1NTRK1NGFRMAPT

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
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
CN-101010118-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN 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 KDM4E 261/4885ALDH1A1 510/4885POLB 744/4885

“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.