SCHEMBL3875285

SCHEMBL3875285

Cc1cc(N(C)CCO)c2oc3ccccc3c2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 5/20 0.37
HSD17B10 Q99714 5/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
USP2 O75604 3/20 0.37
CASP7 P55210 3/20 0.37
CASP1 P29466 2/20 0.37
HBB P68871 2/20 0.37
CRHBP P24387 1/20 0.37
BRCA1 P38398 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 7/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.34
AHR P35869 1/20 0.34
MAOA P21397 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
SCHEMBL3881132 0.90 PRKDC (0.38) PRKDCALDH1A1GAAHSD17B10MAPT
SCHEMBL3878151 0.89 KDM4E (0.42) ALDH1A1GAAHSD17B10MAPTMEN1
SCHEMBL3874513 0.84 MKNK1 (0.35) ALDH1A1GAAHSD17B10MAPTUSP2
SCHEMBL3874505 0.81 KDM4E (0.42) ALDH1A1GAAHSD17B10MAPTUSP2
SCHEMBL3874347 0.81 EGFR (0.31) ALDH1A1GAAHSD17B10MAPTUSP2
SCHEMBL3878218 0.81 PRKDC (0.38) PRKDCALDH1A1GAAHSD17B10MAPT
SCHEMBL3878288 0.79 CYP17A1 (0.38) PRKDCALDH1A1GAAHSD17B10MAPT
SCHEMBL3884362 0.75 MEN1 (0.43) ALDH1A1GAAHSD17B10MAPTMEN1
SCHEMBL3881350 0.74 MAOA (0.48) ALDH1A1GAAHSD17B10MAPTMEN1
SCHEMBL3885319 0.74 MKNK1 (0.35) ALDH1A1GAAHSD17B10MAPTUSP2

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 9 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
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN 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 PRKDC 409/4885ALDH1A1 660/4885GAA 3637/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PRKDC 409/4885ALDH1A1 660/4885GAA 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.