SCHEMBL3882591

SCHEMBL3882591

Cc1cc(NCCO)c2oc3ccccc3c2c1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 4/20 0.41
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.36
AHR P35869 1/20 0.35
MAOA P21397 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL3878088 0.93 ALDH1A1 (0.52) RECQLCYP2C19ALDH1A1MAPTBRD4
SCHEMBL3874539 0.90 RECQL (0.50) RECQLCYP2C19ALDH1A1MAPTBRD4
SCHEMBL3874836 0.86 KDM4E (0.47) CYP2C19ALDH1A1MAPTKDM4EGAA
SCHEMBL3872796 0.83 ALDH1A1 (0.52) RECQLCYP2C19ALDH1A1MAPTBRD4
SCHEMBL27673172 0.81 RECQL (0.37) RECQLALDH1A1MAPTKDM4EGAA
SCHEMBL3881089 0.79 RECQL (0.51) RECQLCYP2C19ALDH1A1MAPTKDM4E
SCHEMBL4887783 0.79 IGF1R (0.38) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL3881372 0.76 RECQL (0.51) RECQLCYP2C19ALDH1A1MAPTKDM4E
SCHEMBL3881350 0.76 MAOA (0.48) RECQLALDH1A1MAPTKDM4EGAA
SCHEMBL3877504 0.75 KDM4E (0.47) CYP2C19ALDH1A1MAPTKDM4EGAA

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 RECQL 3788/4885CYP2C19 1869/4885ALDH1A1 660/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 RECQL 3788/4885CYP2C19 1869/4885ALDH1A1 660/4885

“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.