SCHEMBL4955987

SCHEMBL4955987

OCCOn1ncc2ccc(O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.48
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
HTR1D P28221 1/20 0.44
HTR7 P34969 1/20 0.44
HTR4 Q13639 1/20 0.44
APP P05067 3/20 0.31
KMO O15229 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TLR9 Q9NR96 1/20 0.31
SYK P43405 1/20 0.30
NOTUM Q6P988 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
SCHEMBL4953053 0.83 CHEK1 (0.37) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4951398 0.83 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4955978 0.81
SCHEMBL4955320 0.79 HTR2A (0.46) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4951167 0.77 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4955203 0.76 KDM4E (0.30)
SCHEMBL4953804 0.76
SCHEMBL4949659 0.76
SCHEMBL4954422 0.73 HTR2A (0.52) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4953954 0.72 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A

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 4 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
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 HTR2A 3351/4885HTR2C 2099/4885HTR2B 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.