SCHEMBL5944582

SCHEMBL5944582

COc1cccc(OC)[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA4 P22748 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL6136521 0.84 ACHE (0.34) ACHE
SCHEMBL11255695 0.79 ACHE (0.40) ACHE
SCHEMBL2791561 0.72
SCHEMBL31547606 0.72
Hydrochloric Acid SCHEMBL9313820 0.70 LMNA (0.41) ACHECA1CA2CA7CA9
SCHEMBL8883116 0.70 ACHE (0.38) ACHECA1CA2CA7CA9
SCHEMBL9820056 0.70 ALDH1A1 (0.50) CA1CA2CA7CA9CA4
SCHEMBL29511211 0.69
SCHEMBL11716403 0.64 CA1 (0.44) CA1CA2CA7CA9CA4
SCHEMBL12276408 0.62

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KRTCAP2, NOX5 ACHE 835/4885CA1 1372/4885CA2 1930/4885

“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.