SCHEMBL4949899

SCHEMBL4949899

CC(Cc1cccc(OCc2ccccc2)c1)OCc1nc[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.47
▸ BCHE P06276 6/20 0.45
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MME P08473 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTGES O14684 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
SCHEMBL4948276 0.80 DPYD (0.53) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL3884175 0.77 MAOB (0.44) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL25480447 0.77 MAOB (0.63) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL321092 0.76 MAOB (0.62) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL2747426 0.75 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL21583868 0.75 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL30211131 0.75 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL2747423 0.75 TAAR1 (0.65) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL17386027 0.74 CYP4F2 (0.59) MAOBBCHECYP4F2CYP4A11MEN1
SCHEMBL6624802 0.74 CYP4F2 (0.59) MAOBBCHECYP4F2CYP4A11MEN1

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
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — WO claimed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 — — US disclosed
US-20060020036-A1 Methods and compositions to promote bone homestasis GALAPAGOS N.V. (BE) 2006-01-26 — — US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA MAOB 3322/4885BCHE 2160/4885CYP4F2 255/4885

“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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