SCHEMBL6313143

SCHEMBL6313143

Nc1ccc(N(CCO)CCO)cc1C=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP19A1 P11511 2/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ RELA Q04206 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ APP P05067 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GRM4 Q14833 2/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ ATG4B Q9Y4P1 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
SCHEMBL6313139 1.00 MAPT (0.39) MAPTKMT2AMEN1CYP19A1MAOA
SCHEMBL6311353 0.81 S100B (0.37) MAPTKMT2AMEN1GAAPKM
SCHEMBL6311346 0.81 S100B (0.37) MAPTKMT2AMEN1GAAPKM
SCHEMBL2604913 0.80 RELA (0.52) MAPTKMT2AMEN1CYP19A1MAOA
SCHEMBL6303891 0.75 S100B (0.37) MAPTKMT2AMEN1GAAPKM
SCHEMBL6388999 0.74 MEN1 (0.38) KMT2AMEN1CYP19A1MAOAMAOB
SCHEMBL6389002 0.74 MEN1 (0.38) KMT2AMEN1CYP19A1MAOAMAOB
SCHEMBL6571445 0.74 KMT2A (0.43) MAPTKMT2AMEN1GAAPKM
Alcohol SCHEMBL28165348 0.73 CYP19A1 (0.49) MAPTCYP19A1MAOAMAOBNFE2L2
SCHEMBL16815119 0.72 KMT2A (0.42) MAPTKMT2AMEN1GAAPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849766-B2 1,4-diamino-2-alkenylbenzene derivatives, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 — — US disclosed
EP-1351921-B1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-12-01 — — EP disclosed
EP-1351921-A1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-10-15 — — EP disclosed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 — — US disclosed
WO-2002057214-A1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-07-25 — — 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-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds AOC1, AOX1, GPX1 MAPT 818/4885KMT2A 3908/4885MEN1 4236/4885

“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.

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