SCHEMBL3972301

SCHEMBL3972301

Oc1cccc(O)c1CNCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ GRIN2B Q13224 1/20 0.49
▸ GAA P10253 3/20 0.49
▸ ATM Q13315 1/20 0.48
▸ TSHR P16473 1/20 0.45
▸ KDM4A O75164 1/20 0.43
▸ KDM4B O94953 1/20 0.43
▸ KDM5C P41229 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL5268714 0.89 KMT2A (0.45) KMT2AMEN1CHRM2POLBGRIN2B
SCHEMBL843371 0.82 CHRM2 (0.69) KMT2AMEN1CHRM2POLBGAA
SCHEMBL22443868 0.81 TSHR (0.66) KMT2AMEN1CHRM2POLBGAA
Methane SCHEMBL28948442 0.80 CHRM2 (0.67) KMT2AMEN1CHRM2POLBGAA
SCHEMBL16523593 0.75 KMT2A (0.70) KMT2AMEN1CHRM2POLBGAA
SCHEMBL2718733 0.75 — —
SCHEMBL29228969 0.75 CA12 (0.68) KMT2AMEN1CHRM2TSHRCA12
SCHEMBL1642902 0.74 CHRM2 (0.77) KMT2AMEN1CHRM2POLBGAA
SCHEMBL22305089 0.73 KMT2A (0.68) KMT2AMEN1CHRM2POLBGAA
SCHEMBL10408359 0.73 KMT2A (0.56) KMT2AMEN1GAATSHRKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 — — US claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 — — US claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 — — EP claimed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 — — WO claimed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 — — US claimed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 — — EP claimed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 — — US claimed
CN-101119701-A Dye carrier mass PROCTER & GAMBLE (US) 2008-02-06 — — CN disclosed
EP-1855641-A1 DYE CARRIER MASS Wella Aktiengesellschaft (DE) 2007-11-21 — — EP disclosed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 — — US disclosed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 — — US disclosed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 — — EP disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 — — WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 — — EP disclosed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 — — US disclosed
US-20070000072-A1 Care hair coloran PROCTER & GAMBLE COMPANY, THE 2007-01-04 — — US disclosed
WO-2006088973-A1 DYE CARRIER MASS THE PROCTER & GAMBLE COMPANY (US) 2006-08-24 — — 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 (4 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-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds KRT18, COL2A1, COL1A1 KMT2A 679/4885MEN1 4852/4885CHRM2 2521/4885
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 KMT2A 2655/4885MEN1 4559/4885CHRM2 3256/4885
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 KMT2A 2065/4885MEN1 3075/4885CHRM2 848/4885
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 KMT2A 1287/4885MEN1 4874/4885CHRM2 3740/4885

“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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