SCHEMBL4955673

SCHEMBL4955673

CC(C)Nn1ccc2ccc(O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.38
HTR2A P28223 5/20 0.38
HTR2B P41595 3/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
HTR1D P28221 1/20 0.38
HTR7 P34969 1/20 0.38
HTR4 Q13639 1/20 0.38
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
TYR P14679 1/20 0.37
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 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
SCHEMBL4952790 0.81 ACHE (0.34) HTR2AHTR2BADRA2BTYRMAPT
SCHEMBL4953262 0.80 CDC7 (0.40) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4949656 0.79 PRKCI (0.41) HTR2CHTR2AHTR1AADRA2AMAPT
SCHEMBL4949203 0.76 CDC7 (0.37) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4953087 0.76 ALDH1A1 (0.35) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4951929 0.76 ALDH1A1 (0.35) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4953258 0.74 PRKCI (0.34) HTR2CHTR2A
SCHEMBL15724412 0.73 HTR2C (0.41) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL4951872 0.71 SLC6A2 (0.49) CDC7CDK2POLBBACE1CYP1A2
SCHEMBL4953021 0.71 CDC7 (0.36) HTR2CHTR2AHTR2BHTR1AADRA2A

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 6 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
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 HTR2C 2099/4885HTR2A 3351/4885HTR2B 2836/4885

“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.