SCHEMBL4954033

SCHEMBL4954033

CC(C)On1ccc2c(O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR6 P50406 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
APP P05067 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
SNCA P37840 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 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 0.80 HTR2C (0.46) HTR2CHTR6CA12CA1CA2
SCHEMBL4949556 0.79 CYP3A4 (0.35) HTR2CTSHRHPGDHSD17B10TDP1
SCHEMBL4955621 0.76 HTR2C (0.46) HTR2CHTR6CA12CA1CA2
SCHEMBL4425276 0.75 HTR2C (0.42) HTR2CHTR6CA12CA1CA2
SCHEMBL4330148 0.73 HTR2C (0.46) HTR2CHTR6MAPTHTTTSHR
SCHEMBL31188171 0.73 HTR2C (0.46) HTR2CHTR6MAPTHTTTSHR
SCHEMBL4951839 0.72 CA12 (0.37) HTR2CCA12CA1CA2CA7
SCHEMBL4952802 0.72 HTR6 (0.46) HTR2CHTR6CA12CA2CA14
SCHEMBL4667802 0.71 HTR2C (0.45) HTR2CHTR6CA12CA1CA2
SCHEMBL4956099 0.71 HTR2C (0.42) HTR2CHTR6MAPTTSHRCYP1A2

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 HTR2C 2099/4885HTR6 1857/4885CA12 1448/4885

“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.