SCHEMBL3882353

SCHEMBL3882353

Nc1ccc(N2CCCC2)c2oc3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
PRKDC P78527 2/20 0.48
AGTR1 P30556 1/20 0.47
GAA P10253 4/20 0.46
KEAP1 Q14145 1/20 0.44
KMT2A Q03164 6/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP2 O95551 1/20 0.40
THRB P10828 1/20 0.40
CASP3 P42574 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL3880536 0.88 ALDH1A1 (0.48) ALDH1A1PRKDCAGTR1GAAKEAP1
SCHEMBL3875085 0.77 NQO1 (0.47) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL20887127 0.76 PRKDC (0.54) ALDH1A1PRKDCAGTR1GAAKEAP1
SCHEMBL29671008 0.73 CDC14B (0.52) ALDH1A1GAAKEAP1KMT2AMAPT
SCHEMBL10105292 0.72 KEAP1 (0.57) ALDH1A1GAAKEAP1KMT2AMAPT
SCHEMBL3874781 0.71 KDM5A (0.60) GAAKMT2AMAPTMEN1L3MBTL1
SCHEMBL28525740 0.71 CDC14B (0.51) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL8688262 0.69 ALDH1A1 (0.49) ALDH1A1PRKDCAGTR1GAAKMT2A
SCHEMBL5023494 0.68 MAOA (0.53) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL29240320 0.68 CDC14B (0.39) ALDH1A1GAAKEAP1KMT2AMAPT

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 660/4885PRKDC 409/4885AGTR1 4579/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885PRKDC 409/4885AGTR1 4579/4885

“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.