SCHEMBL5937106

SCHEMBL5937106

COc1cc(OC)c2c(c1)OC(OC)N2O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.39
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL5936960 0.75 KDM4E (0.37) ABCB1CYP3A4MAPK1KDM4EALDH1A1
SCHEMBL13109175 0.61 ALDH1A1 (0.50) CYP3A4MAPK1KDM4EALDH1A1HPGD
SCHEMBL686849 0.60 CYP1A2 (0.64) CYP3A4ALDH1A1
SCHEMBL28226949 0.59 CYP1A2 (0.42) CYP3A4MAPK1ALDH1A1
SCHEMBL1047550 0.58 ABL1 (0.65) CYP3A4MAPK1ALDH1A1HPGD
SCHEMBL2028309 0.58 ALDH1A1 (0.53) CYP3A4MAPK1KDM4EALDH1A1HPGD
SCHEMBL13564253 0.58 ALDH1A1 (0.53) CYP3A4MAPK1KDM4EALDH1A1HPGD
Difucol Hexamethyl Ether SCHEMBL505203 0.57 CYP1A2 (0.60) CYP3A4MAPK1ALDH1A1
SCHEMBL2093867 0.57 MAPT (0.41) MAPK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31544423 0.57 MGLL (0.50) CYP3A4MAPK1KDM4EALDH1A1HPGD

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-20060156484-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 — — US claimed
US-20060156486-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 — — US claimed
US-20060156484-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 — — US disclosed
US-20060156486-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 (2 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-20060156484-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSG1, JUP ABCB1 3823/4885CYP3A4 799/4885MAPK1 1087/4885
US-20060156486-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSG1, DSP ABCB1 4074/4885CYP3A4 714/4885MAPK1 1563/4885

“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.

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