SCHEMBL5154618

SCHEMBL5154618

O=C(O)c1c(O)coc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CYP3A4 P08684 2/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.35
DPP4 P27487 2/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL17219697 0.76 CA12 (0.39) CA1CA2CA12CA7CA9
SCHEMBL11376880 0.69 CYP3A4 (0.40) CA1CA2CA12CA7CA9
SCHEMBL10811729 0.67 CYP3A4 (0.38) CA1CA2CA12CA7CA9
SCHEMBL16431499 0.65 KDM4E (0.33) CA1CA2CA12CA7CA9
SCHEMBL5154564 0.65 CA12 (0.37) CA1CA2CA12CA7CA9
SCHEMBL5158064 0.65 SELL (0.39) CA1CA2CA12CA7CA9
SCHEMBL2971000 0.64 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL2860182 0.64 CYP1A2 (0.50) CA1CA2CA12CA7CA9
SCHEMBL29419955 0.64 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL30885082 0.62 GPR35 (0.44) CYP3A4ACHECYP1A2KDM4EALDH1A1

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 CA1 1683/4885CA2 1639/4885CA12 1267/4885

“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.