SCHEMBL6069338

SCHEMBL6069338

COc1ccccc1CNc1cc(N)ccc1OCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ASPH Q12797 1/20 0.45
KDM8 Q8N371 1/20 0.45
MAPK1 P28482 3/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
EGFR P00533 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL6069421 0.94 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDGAA
Hydrochloric Acid SCHEMBL6069870 0.93 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6069446 0.86 GAA (0.36) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6069176 0.85 CA12 (0.48) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6070027 0.81 HDAC1 (0.41) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6069540 0.80 KDM4E (0.39) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6069404 0.80 MAPT (0.46) ALDH1A1KDM4EMAPTGAAL3MBTL1
Hydrochloric Acid SCHEMBL6069302 0.79 KDM4E (0.38) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6069142 0.79 CA12 (0.49) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6141882 0.79 GAA (0.50) ALDH1A1KDM4EMAPTHPGDGAA

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-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US claimed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP claimed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US claimed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO claimed
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US disclosed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP disclosed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US disclosed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO 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 (1 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-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds KRT18, VIM, KPNB1 ALDH1A1 601/4885KDM4E 1903/4885MAPT 469/4885

“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.