SCHEMBL3874920

SCHEMBL3874920

Nc1cc(OCCO)c(N)c2c1oc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
KCNA3 P22001 1/20 0.36
CDC14B O60729 2/20 0.36
CDC14A Q9UNH5 2/20 0.36
NQO1 P15559 1/20 0.36
NMUR2 Q9GZQ4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
LIMK1 P53667 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 3/20 0.34
AHR P35869 1/20 0.34
ADRB2 P07550 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CDC25A P30304 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
SCHEMBL3873379 0.90 IDO1 (0.39) IDO1KCNA3CDC14BCDC14ANQO1
SCHEMBL3879176 0.79 MAOA (0.50) IDO1ALDH1A1HPGDKDM4ENPC1
SCHEMBL3885334 0.72 IDO1 (0.40) IDO1LIMK1ALOX5APFEN1KDM4E
SCHEMBL5713522 0.71 ALOX5 (0.33) NQO1ALDH1A1ALOX5KDM4EAHR
SCHEMBL3881093 0.71 NQO1 (0.43) CDC14BCDC14ANQO1ALDH1A1HPGD
SCHEMBL3882623 0.71 NQO1 (0.43) NQO1ALDH1A1HPGDLIMK1KDM4E
SCHEMBL3885247 0.71 IDO1 (0.39) IDO1ALDH1A1HPGDLIMK1ALOX5
SCHEMBL3875231 0.71 NQO1 (0.44) NQO1ALDH1A1HPGDALOX5KDM4E
SCHEMBL23558680 0.69 CDC25A (0.42) KCNA3CDC14BCDC14ACDC25ACDC25B
SCHEMBL6592785 0.69 KCNA3 (0.69) KCNA3ALDH1A1CYP19A1

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 IDO1 3305/4885KCNA3 520/4885CDC14B 3276/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IDO1 3305/4885KCNA3 520/4885CDC14B 3276/4885

“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.