SCHEMBL5154649

SCHEMBL5154649

O=C(O)c1cc(O)c(O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.52
DAO P14920 9/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCL2L1 Q07817 1/20 0.42
ALOX15 P16050 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CA3 P07451 1/20 0.37
SELL P14151 1/20 0.37
HPGD P15428 1/20 0.37
SELP P16109 1/20 0.37
FUT4 P22083 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL23459994 0.78 GPR35 (0.50) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL30020630 0.76 GPR35 (0.48) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL29953733 0.73 GPR35 (0.46) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL1310113 0.70 GPR35 (0.68) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL577651 0.70 MAPT (0.44) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL28531853 0.69 GPR35 (0.65) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL10645077 0.69 GPR35 (1.00) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL19511558 0.68 GPR35 (0.41) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL31619547 0.67 GPR35 (0.54) GPR35DAOALDH1A1KDM4EMAPT
SCHEMBL16749643 0.67 GPR35 (0.62) GPR35DAOALDH1A1KDM4EMAPT

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 GPR35 3626/4885DAO 600/4885ALDH1A1 782/4885

“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.