SCHEMBL4953262

SCHEMBL4953262

CNn1ccc2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR1D P28221 1/20 0.34
HTR7 P34969 1/20 0.34
HTR4 Q13639 1/20 0.34
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL4955673 0.80 HTR2C (0.38) CDC7CDK2MAPTCYP1A2HTR2A
SCHEMBL4949203 0.80 CDC7 (0.37) CDC7CDK2MAPTCYP1A2HTR2A
SCHEMBL4951985 0.78 ACHE (0.36) MAPTCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL4951981 0.77 PRKCI (0.44) MAPTHTR1AADRA2AKDM4EMEN1
SCHEMBL4951872 0.75 SLC6A2 (0.49) CDC7CDK2CYP1A2BACE1MEN1
SCHEMBL4953021 0.75 CDC7 (0.36) CDC7CDK2MAPTCYP1A2HTR2A
SCHEMBL118436 0.74 CYP2A6 (0.53) CDC7CDK2MAPTCYP1A2HTR2A
SCHEMBL4955526 0.73 PIK3CB (0.34) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL4955532 0.73 PIK3CB (0.34) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL4951548 0.72 BACE1 (0.40) CDC7CDK2CYP1A2BACE1KDM4E

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 CDC7 1449/4885CDK2 1531/4885MAPT 1139/4885

“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.