SCHEMBL3879331

SCHEMBL3879331

CN(CC(O)CO)c1ccc(N)c2oc3ccccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
LIMK1 P53667 2/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ADRB2 P07550 1/20 0.32
MAOA P21397 1/20 0.32
GAA P10253 1/20 0.32
CDC14B O60729 1/20 0.32
CDC14A Q9UNH5 1/20 0.32
ALOX5 P09917 1/20 0.32
ALK Q9UM73 2/20 0.31
NQO1 P15559 1/20 0.31
KDM5A P29375 1/20 0.30
IKBKB O14920 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
SCHEMBL3990840 0.92 MKNK1 (0.35) CYP17A1CYP19A1CYP11B1CYP11B2MKNK1
SCHEMBL3881163 0.87 CYP17A1 (0.35) CYP17A1CYP19A1CYP11B1CYP11B2LIMK1
SCHEMBL3885319 0.84 MKNK1 (0.35) MKNK1ADRB2MAOAGAAIKBKB
SCHEMBL3878288 0.84 CYP17A1 (0.38) CYP17A1CYP19A1CYP11B1CYP11B2LIMK1
SCHEMBL3874513 0.81 MKNK1 (0.35) MKNK1ADRB2MAOAGAAIKBKB
SCHEMBL4802502 0.80 CYP17A1 (0.31) CYP17A1CYP19A1CYP11B1CYP11B2CDC14B
SCHEMBL4802496 0.76 CYP17A1 (0.34) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL3886090 0.76 ALDH1A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2LIMK1
SCHEMBL3880747 0.75 POLB (0.35) LIMK1CHEK1NEK2DYRK1ACLK4
SCHEMBL3874664 0.75 CHEK1 (0.33) LIMK1CHEK1NEK2DYRK1ACLK4

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-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
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 CYP17A1 1539/4885CYP19A1 1483/4885CYP11B1 783/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CYP17A1 1539/4885CYP19A1 1483/4885CYP11B1 783/4885

“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.