SCHEMBL6069217

SCHEMBL6069217

Nc1ccc(OCCO)c(NCc2ccc(N(CCO)CCCO)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
PRUNE1 Q86TP1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL6069347 0.96 PRUNE1 (0.33) RARBRARGPRUNE1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6069257 0.94 ALDH1A1 (0.33) RARBRARGPRUNE1ALDH1A1TSHR
SCHEMBL6069246 0.85 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL6069267 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6069164 0.83 MITF (0.39) ALDH1A1TSHRTDP1PTGDR2
SCHEMBL6069411 0.83 SYK (0.41) ALDH1A1TDP1
SCHEMBL6069187 0.82 MITF (0.38) ALDH1A1PTGDR2
Hydrochloric Acid SCHEMBL6069441 0.82 MAPT (0.39) ALDH1A1TSHRTDP1PTGDR2
SCHEMBL6069178 0.82 SYK (0.39) ALDH1A1TDP1
SCHEMBL6069345 0.82 CACNA1B (0.38) ALDH1A1

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 RARB 657/4885RARG 961/4885PRUNE1 1281/4885

“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.