SCHEMBL3883612

SCHEMBL3883612

NC(=O)NCCN(CCO)c1ccc(N)c2oc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
PPARG P37231 1/20 0.35
NCOA1 Q15788 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALK Q9UM73 1/20 0.34
MAPT P10636 2/20 0.33
MTNR1A P48039 1/20 0.33
TEAD1 P28347 1/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
HPGD P15428 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3875316 0.91 ALDH1A1 (0.38) ALDH1A1POLBKDM4EALOX5NPSR1
SCHEMBL3886090 0.89 ALDH1A1 (0.45) ALDH1A1POLBKDM4EALOX5NPSR1
SCHEMBL3875331 0.79 ALDH1A1 (0.45) ALDH1A1POLBKDM4EALOX5NPSR1
SCHEMBL3885442 0.77 TERT (0.36) ALDH1A1POLBKDM4EMTNR1AHPGD
SCHEMBL3878200 0.77 ALDH1A1 (0.35) ALDH1A1POLBKDM4EMAPTMTNR1A
SCHEMBL3878288 0.77 CYP17A1 (0.38) ALDH1A1POLBKDM4EALOX5CYP17A1
SCHEMBL3880717 0.76 POLB (0.40) ALDH1A1POLBKDM4ENPSR1MAPT
SCHEMBL3874925 0.75 ALDH1A1 (0.35) ALDH1A1POLBKDM4EMAPTMTNR1A
SCHEMBL3876809 0.75 TERT (0.36) ALDH1A1POLBKDM4EMTNR1AHPGD
SCHEMBL3874505 0.70 KDM4E (0.42) ALDH1A1POLBKDM4ENPSR1MAPT

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 7 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
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 660/4885POLB 796/4885KDM4E 1549/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885POLB 796/4885KDM4E 1549/4885

“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.