SCHEMBL6389002

SCHEMBL6389002

Nc1ccc(NCCO)cc1C=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ APP P05067 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ SGK1 O00141 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
SCHEMBL6388999 1.00 MEN1 (0.38) MEN1POLBMMP14BLMCASP6
SCHEMBL6312324 0.81 MEN1 (0.37) MEN1POLBMMP14BLMCASP6
SCHEMBL6312329 0.81 MEN1 (0.37) MEN1POLBMMP14BLMCASP6
SCHEMBL2604939 0.80 NFE2L2 (0.47) POLBKMT2ACYP19A1MAOAMAOB
SCHEMBL6311119 0.77 CYP19A1 (0.42) MEN1KMT2ACYP19A1MAOAMAOB
SCHEMBL6311120 0.77 CYP19A1 (0.42) MEN1KMT2ACYP19A1MAOAMAOB
SCHEMBL6313143 0.74 MAPT (0.39) MEN1KMT2ACYP19A1MAOAMAOB
SCHEMBL6313139 0.74 MAPT (0.39) MEN1KMT2ACYP19A1MAOAMAOB
SCHEMBL6572585 0.74 ALDH1A1 (0.42) MEN1POLBMMP14BLMCASP6
Alcohol SCHEMBL28165348 0.73 CYP19A1 (0.49) CYP19A1MAOAMAOBNFE2L2TRPA1

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 2 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
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

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 MEN1 4236/4885POLB 118/4885MMP14 3996/4885

“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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