SCHEMBL3875331

SCHEMBL3875331

Nc1ccc(N(CCO)CCO)c2oc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.36
LIMK1 P53667 2/20 0.36
MAPT P10636 3/20 0.36
ALOX5 P09917 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
MAPK1 P28482 2/20 0.34
NQO1 P15559 1/20 0.34
KDM5A P29375 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TSHR P16473 1/20 0.33
HRH1 P35367 1/20 0.32
PPARG P37231 1/20 0.32
NCOA1 Q15788 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3886090 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHPGDLIMK1
SCHEMBL3875316 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL3878218 0.86 PRKDC (0.38) ALDH1A1KDM4EPOLBHPGDLIMK1
SCHEMBL3878151 0.79 KDM4E (0.42) ALDH1A1KDM4EPOLBHPGDLIMK1
SCHEMBL3883612 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL3878288 0.78 CYP17A1 (0.38) ALDH1A1KDM4EPOLBHPGDLIMK1
SCHEMBL3874505 0.76 KDM4E (0.42) ALDH1A1KDM4EPOLBHPGDLIMK1
SCHEMBL3875085 0.75 NQO1 (0.47) ALDH1A1KDM4EHPGDLIMK1MAPT
SCHEMBL3990840 0.75 MKNK1 (0.35) LIMK1ALOX5NPSR1NQO1CYP17A1
SCHEMBL3874781 0.72 KDM5A (0.60) KDM4EHPGDLIMK1MAPTALOX5

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 ALDH1A1 660/4885KDM4E 1549/4885POLB 796/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885KDM4E 1549/4885POLB 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.