SCHEMBL4008143

SCHEMBL4008143

OCCn1c2cc(O)cc(O)c2c2c(O)cc(O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 4/20 0.36
CHEK1 O14757 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.34
ESR1 P03372 2/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
PDE5A O76074 2/20 0.31
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ACHE P22303 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SIRT1 Q96EB6 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) WEE1CHEK1KDM4E
SCHEMBL3874005 0.80 KDM4E (0.36) WEE1CHEK1LMNAALDH1A1POLB
SCHEMBL3886086 0.80 WEE1 (0.36) WEE1CHEK1LMNAALDH1A1GAA
SCHEMBL3887737 0.73 ESR1 (0.39) ALDH1A1GAAESR1MGAMSI
SCHEMBL3879194 0.71 GAA (0.47) WEE1CHEK1LMNAALDH1A1GAA
SCHEMBL3881084 0.71 HTR2A (0.41) WEE1ALDH1A1POLBMAPTATM
SCHEMBL3881064 0.71 GAA (0.37) WEE1CHEK1LMNAALDH1A1GAA
SCHEMBL3880601 0.70 POLB (0.44) WEE1CHEK1ALDH1A1POLBMAPT
SCHEMBL3878145 0.70 SRC (0.50) LMNAALDH1A1GAAPOLBMAPT
SCHEMBL3873405 0.67 WEE1 (0.39) WEE1CHEK1LMNAALDH1A1GAA

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 811/4885LMNA 448/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 WEE1 3811/4885CHEK1 811/4885LMNA 448/4885

“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.