SCHEMBL1733285

SCHEMBL1733285

O=C(/C=C/c1ccc(Cl)nc1)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.67
▸ MAOB P27338 6/20 0.67
▸ KDM4E B2RXH2 3/20 0.62
▸ MAPT P10636 7/20 0.61
▸ MAPK1 P28482 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CYP2C19 P33261 2/20 0.60
▸ BCHE P06276 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ PTGS1 P23219 1/20 0.58

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
SCHEMBL1733286 1.00 MAOA (0.67) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL25195966 0.81 MAOB (0.89) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL25233412 0.81 MAOB (0.89) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL25219836 0.81 MAOB (0.89) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL25191373 0.81 MAOB (0.89) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL9180282 0.81 MAOB (0.64) MAOBMAPTKMT2ACYP3A4ALDH1A1
SCHEMBL5138131 0.80 MAOB (1.00) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL5138128 0.80 MAOB (1.00) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL25190630 0.80 MAOB (1.00) MAOAMAOBKDM4EMAPTMAPK1
SCHEMBL30383572 0.80 MAOB (1.00) MAOAMAOBKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 — — US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 — — US disclosed
EP-2259689-B1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2011-11-16 — — EP disclosed
EP-2259689-A1 FLAVOR MOLECULES Givaudan SA (CH) 2010-12-15 — — EP disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 — — US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 — — US disclosed
WO-2009105906-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2009-09-03 — — 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 (2 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-20100272656-A1 Flavor Molecules TAS2R30, TAS2R31, TAS2R1 MAOA 4384/4885MAOB 3718/4885KDM4E 2101/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 MAOA 4384/4885MAOB 3718/4885KDM4E 2101/4885

“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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