SCHEMBL3886086

SCHEMBL3886086

Nc1cc(O)cc2c1c1c(N)cc(O)cc1n2CCO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 8/20 0.36
CHEK1 O14757 6/20 0.36
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
NUDT1 P36639 1/20 0.30
BACE1 P56817 1/20 0.30
TSHR P16473 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
SCHEMBL3885426 0.85 WEE1 (0.32) WEE1CHEK1KDM4EHTT
SCHEMBL3880601 0.84 POLB (0.44) WEE1CHEK1KDM4EALDH1A1CDK1
SCHEMBL3873275 0.82 KDM4E (0.37) WEE1CHEK1KDM4ELMNAHTT
SCHEMBL4008143 0.80 WEE1 (0.36) WEE1CHEK1KDM4ELMNAALDH1A1
SCHEMBL3876743 0.75 ESR1 (0.36) WEE1CHEK1BACE1
SCHEMBL3874005 0.73 KDM4E (0.36) WEE1CHEK1KDM4ELMNAHTT
SCHEMBL3879159 0.73 GAA (0.36) WEE1CHEK1KDM4ELMNAHTT
SCHEMBL3885265 0.71 TSHR (0.41) WEE1CHEK1KDM4EHTTALDH1A1
SCHEMBL3879216 0.69 KDM4E (0.39) WEE1CHEK1KDM4ELMNAHTT
SCHEMBL3887845 0.69 WEE1 (0.38) WEE1CHEK1KDM4ELMNAHTT

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 WEE1 3811/4885CHEK1 811/4885KDM4E 1549/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 WEE1 3811/4885CHEK1 811/4885KDM4E 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.