SCHEMBL3885319

SCHEMBL3885319

Cc1cc(N(C)CC(O)CO)c2c(oc3ccccc32)c1N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
MAOA P21397 1/20 0.34
KDM4E B2RXH2 3/20 0.32
AHR P35869 1/20 0.32
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
TTR P02766 1/20 0.31
IKBKB O14920 1/20 0.30
ADRB2 P07550 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3874513 0.91 MKNK1 (0.35) MKNK1MAOAKDM4EAHRGAA
SCHEMBL3881132 0.84 PRKDC (0.38) MAOAKDM4EAHRGAAALDH1A1
SCHEMBL3879331 0.84 CYP17A1 (0.36) MKNK1MAOAGAAIKBKBADRB2
SCHEMBL3990840 0.81 MKNK1 (0.35) MKNK1MAOAGAAADRB2
SCHEMBL3874347 0.80 EGFR (0.31) MAOAKDM4EAHRGAAALDH1A1
SCHEMBL3874505 0.78 KDM4E (0.42) MAOAKDM4EAHRGAAALDH1A1
SCHEMBL3885259 0.76 MAPT (0.39) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL3880886 0.76 ALDH1A1 (0.33) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL3875285 0.74 PRKDC (0.38) MAOAKDM4EAHRGAAALDH1A1
SCHEMBL3876649 0.74 MEN1 (0.39) KDM4EGAAALDH1A1HPGDHSD17B10

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 MKNK1 992/4885MAOA 500/4885KDM4E 1549/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MKNK1 992/4885MAOA 500/4885KDM4E 1549/4885

“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.