SCHEMBL3887845

SCHEMBL3887845

Nc1ccc2c(c1O)c1c(O)c(N)ccc1n2CCO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CHEK1 O14757 3/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.32
NUDT1 P36639 1/20 0.30
BACE1 P56817 1/20 0.30
TDO2 P48775 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 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
SCHEMBL3874408 0.85 MAPT (0.48) WEE1KDM4EHTTPOLBMAPT
SCHEMBL3878220 0.82 WEE1 (0.38) WEE1KDM4EHTTPOLBMAPT
SCHEMBL3873405 0.80 WEE1 (0.39) WEE1KDM4EHTTPOLBMAPT
SCHEMBL3872751 0.77 WEE1 (0.38) WEE1KDM4EHTTPOLBMAPT
SCHEMBL3872848 0.75 ADORA2A (0.36) WEE1HTTMAPT
SCHEMBL3885265 0.74 TSHR (0.41) WEE1KDM4EHTTPOLBMAPT
SCHEMBL3875304 0.74 SRC (0.31) KDM4EHTTPOLBMAPTATM
SCHEMBL3881172 0.73 MAPT (0.49) WEE1KDM4EHTTPOLBMAPT
SCHEMBL3887963 0.72 TLR8 (0.38) HTTPOLBMAPTATMTDO2
SCHEMBL3886086 0.69 WEE1 (0.36) WEE1KDM4EHTTCHEK1GAA

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 3811/4885KDM4E 1549/4885HTT 3227/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 WEE1 3811/4885KDM4E 1549/4885HTT 3227/4885

“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.