SCHEMBL3877124

SCHEMBL3877124

Nc1cc2c(cc1O)c1cc(O)c(N)cc1n2CCO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
GAA P10253 3/20 0.33
WEE1 P30291 2/20 0.32
CHEK1 O14757 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3885433 0.92 SRC (0.37) SRCMAPTPOLBATMKDM4E
SCHEMBL3874987 0.89 MAPT (0.51) SRCMAPTPOLBATMKDM4E
SCHEMBL3879216 0.86 KDM4E (0.39) MAPTPOLBATMKDM4EALDH1A1
SCHEMBL3878145 0.84 SRC (0.50) SRCMAPTPOLBATMALDH1A1
SCHEMBL3886252 0.82 MAPT (0.51) SRCMAPTPOLBATMKDM4E
SCHEMBL3873513 0.75 PABPC1 (0.43) SRCMAPTPOLBKDM4EALDH1A1
SCHEMBL3877497 0.75 MAPT (0.55) MAPTPOLBATMKDM4EALDH1A1
SCHEMBL3875840 0.73 POLB (0.56) SRCMAPTPOLBATMKDM4E
SCHEMBL3876518 0.71 KDM4E (0.47) MAPTPOLBATMKDM4EALDH1A1
SCHEMBL3874005 0.69 KDM4E (0.36) MAPTPOLBATMKDM4EALDH1A1

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 SRC 2779/4885MAPT 420/4885POLB 796/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 SRC 2779/4885MAPT 420/4885POLB 796/4885

“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.