SCHEMBL4952802

SCHEMBL4952802

Oc1cccc2c1ccn2Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
HTR2C P28335 1/20 0.40
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 6/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
JAK2 O60674 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR2 Q92731 1/20 0.32
RECQL P46063 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
APP P05067 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
SCHEMBL4949214 0.77 HTR2C (0.46) HTR6HTR2CCYP1A2ALOX15HSD17B10
SCHEMBL4951523 0.76 HTR6 (0.43) HTR6HTR2CCYP1A2ALOX15MAPT
SCHEMBL4953957 0.72 CYP1A2 (0.35) CYP1A2ALOX15HSD17B10HPGDMAPT
SCHEMBL4955621 0.72 HTR2C (0.46) HTR6HTR2CCYP1A2ALOX15HSD17B10
SCHEMBL4954033 0.72 HTR2C (0.43) HTR6HTR2CCYP1A2ALOX15HSD17B10
SCHEMBL8995369 0.72 CDK4 (0.42) HTR6HPGDMEN1KMT2AHTT
SCHEMBL4425276 0.71 HTR2C (0.42) HTR6HTR2CMAPTMEN1KMT2A
SCHEMBL4956099 0.71 HTR2C (0.42) HTR6HTR2CCYP1A2ALOX15HSD17B10
SCHEMBL4954462 0.70 HTR6 (0.35) HTR6CYP1A2ALOX15HSD17B10HPGD
SCHEMBL4911529 0.69 LTA4H (0.33) ALOX15HSD17B10HPGDMAPTSMN1; SMN2

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 HTR6 1857/4885HTR2C 2099/4885CYP1A2 764/4885

“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.