SCHEMBL3879010

SCHEMBL3879010

Nc1ccc2c(c1)oc1cc(O)ccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.75
▸ ALDH1A1 P00352 7/20 0.75
▸ MAPT P10636 4/20 0.75
▸ HSD17B10 Q99714 3/20 0.75
▸ LMNA P02545 3/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ ALOX15 P16050 1/20 0.75
▸ HTT P42858 1/20 0.75
▸ HPGD P15428 5/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ CA12 O43570 3/20 0.54
▸ CA9 Q16790 3/20 0.54
▸ LCK P06239 1/20 0.54
▸ PDE2A O00408 1/20 0.53
▸ MAOA P21397 2/20 0.50
▸ PKLR P30613 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ AKR1B1 P15121 2/20 0.47

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
SCHEMBL2438891 0.89 MAOA (0.67) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL29600967 0.87 KDM4E (1.00) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL1547415 0.87 KDM4E (0.75) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL3874542 0.87 KDM4E (1.00) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL20209307 0.82 KDM4E (0.69) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL30629174 0.82 PDE2A (0.77) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL27323033 0.82 PDE2A (0.77) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL1315246 0.82 PDE2A (0.77) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL6483512 0.79 MAPT (0.62) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL11831965 0.78 KDM4E (0.82) KDM4EALDH1A1MAPTHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 — — US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 — — US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 — — US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 — — US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 — — US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 — — EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 — — WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 — — 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885ALDH1A1 660/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885ALDH1A1 660/4885MAPT 420/4885

“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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