SCHEMBL3988869

SCHEMBL3988869

[CH2]N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ GAA P10253 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ DRD4 P21917 2/20 0.50
▸ ME2 P23368 7/20 0.49
▸ ME1 P48163 7/20 0.49
▸ ME3 Q16798 7/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA1 P00915 2/20 0.46
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL7041242 0.88 MAPT (0.68) MAPTALDH1A1KDM4EPKMTDP1
SCHEMBL7106841 0.81 KDM4E (0.61) MAPTALDH1A1KDM4EPKMTDP1
SCHEMBL8931737 0.79 DRD4 (0.67) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL27936730 0.78 TDP1 (0.66) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL3043144 0.78 ALDH1A1 (0.57) MAPTALDH1A1KDM4EPKMTDP1
SCHEMBL657027 0.78 ALDH1A1 (0.57) MAPTALDH1A1KDM4EPKMTDP1
SCHEMBL5539457 0.77 ME2 (0.63) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL3055201 0.77 MAPT (0.63) MAPTALDH1A1KDM4EPKMTDP1
SCHEMBL18938503 0.77 MAPT (0.57) MAPTALDH1A1KDM4EPKMTDP1
SCHEMBL13389789 0.77 MAPT (0.57) MAPTALDH1A1KDM4EPKMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541478-B2 Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 — — US disclosed
US-20070197636-A1 Coumarin Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 — — US disclosed
US-20070179154-A1 Coumarin derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-02 — — US disclosed
CN-1950352-A Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2007-04-18 — — CN disclosed
EP-1720850-A1 COUMARIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-15 — — EP disclosed
US-20060035865-A1 Lipid-rich plaque regressing agents TERASHITA ZEN-ICHI 2006-02-16 — — US disclosed
US-6974806-B2 Lipid-rich plaque inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-13 — — US disclosed
WO-2005082879-A1 COUMARIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-09 — — WO disclosed
CN-1615305-A Coumarin derivatives, process for their production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-05-11 — — CN disclosed
US-20050020634-A1 Coumarin derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-01-27 — — US disclosed
EP-1471064-A1 COUMARIN DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-10-27 — — EP disclosed
US-20030232809-A1 Lipid-rich plaque inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-18 — — US disclosed
CN-1441794-A Lipid-rich plaque degrading agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-10 — — CN disclosed
EP-1302470-A1 LIPID-RICH PLAQUE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — EP 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 (5 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-20050020634-A1 Coumarin derivatives, process for their production and use thereof CBR1, ACAT2, CBR3 MAPT 1343/4885ALDH1A1 1151/4885KDM4E 1328/4885
US-20060035865-A1 Lipid-rich plaque regressing agents NR1H2, NR1H3, LDLR MAPT 3908/4885ALDH1A1 3900/4885KDM4E 2317/4885
US-20070197636-A1 Coumarin Derivative And Use Thereof CBR3, HCCS, CBR1 MAPT 4209/4885ALDH1A1 300/4885KDM4E 2544/4885
US-20030232809-A1 Lipid-rich plaque inhibitors LDLR, NR1H2, NR1H3 MAPT 4199/4885ALDH1A1 2807/4885KDM4E 1720/4885
US-20070179154-A1 Coumarin derivatives, process for their production and use thereof CBR1, CBR3, ACAT2 MAPT 1282/4885ALDH1A1 1383/4885KDM4E 1132/4885

“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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