SCHEMBL5158064

SCHEMBL5158064

O=C(O)c1coc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
MAOB P27338 1/20 0.38
LDHA P00338 2/20 0.37
HMGB1 P09429 2/20 0.36
PTPN1 P18031 2/20 0.36
CXCL12 P48061 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL10946919 0.76 SELL (0.41) SELLSELPMAOBLDHAHMGB1
SCHEMBL28701384 0.76 KDM4E (0.42) SELLSELPMAOBHMGB1CXCL12
SCHEMBL5154618 0.65 CA1 (0.42) SELLSELPHMGB1PTPN1ALDH1A1
SCHEMBL483937 0.65
SCHEMBL29860525 0.64 SELL (0.79) SELLSELPLDHAHMGB1PTPN1
SCHEMBL176255 0.64 SELL (0.79) SELLSELPLDHAHMGB1PTPN1
SCHEMBL36897 0.64 ALDH1A1 (0.45) SELLSELPMAOBLDHAHMGB1
SCHEMBL3713109 0.63 CYP1A2 (0.44) MAOBLDHAHMGB1ALDH1A1ALOX15
SCHEMBL9710128 0.63 MAOB (0.41) MAOBLDHAPTPN1ALDH1A1ALOX15
SCHEMBL5154019 0.63 CASP7 (0.39) MAOBLDHAPTPN1ALDH1A1ALOX15

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 SELL 4665/4885SELP 4584/4885MAOB 1265/4885

“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.