SCHEMBL3873405

SCHEMBL3873405

OCCn1c2ccc(O)c(O)c2c2c(O)c(O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.39
SRC P12931 2/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.33
PIM1 P11309 1/20 0.33
CHEK1 O14757 3/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
TDO2 P48775 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC5A2 P31639 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
SCHEMBL3878991 0.84 POLB (0.47) WEE1POLBMAPTATMKMT2A
SCHEMBL3887845 0.80 WEE1 (0.38) WEE1GAAPOLBMAPTATM
SCHEMBL3872751 0.80 WEE1 (0.38) WEE1GAAPOLBMAPTATM
SCHEMBL3881084 0.75 HTR2A (0.41) WEE1POLBMAPTATMKMT2A
SCHEMBL3875860 0.73 MAPT (0.40) WEE1SRCGAAPOLBMAPT
SCHEMBL3883634 0.72 SRC (0.46) SRC
SCHEMBL3877422 0.71 MAPT (0.45) WEE1POLBMAPTATMKMT2A
SCHEMBL3878220 0.69 WEE1 (0.38) WEE1GAAPOLBMAPTATM
SCHEMBL3873857 0.68 MEN1 (0.46) WEE1POLBMAPTATMKMT2A
SCHEMBL3874408 0.68 MAPT (0.48) WEE1POLBMAPTATMKMT2A

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 6 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
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 3811/4885SRC 2779/4885GAA 3637/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 WEE1 3811/4885SRC 2779/4885GAA 3637/4885

“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.