SCHEMBL1654646

SCHEMBL1654646

CCOC(=O)c1cc2ccc(OC)c(CC)c2oc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.60
▸ MAOA P21397 2/20 0.60
▸ KDM4E B2RXH2 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ GLA P06280 3/20 0.58
▸ GAA P10253 3/20 0.58
▸ CA12 O43570 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA3 P07451 2/20 0.58
▸ CA4 P22748 2/20 0.58
▸ CA6 P23280 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ CA14 Q9ULX7 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ MAPT P10636 2/20 0.57
▸ MIF P14174 1/20 0.54
▸ PFKFB3 Q16875 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.53
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL3330816 0.91 S1PR1 (0.61) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL1406760 0.86 MAOB (0.62) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL1654658 0.86 CA12 (0.64) MAOAKDM4EALDH1A1CA12CA2
SCHEMBL2031480 0.82 KMT2A (0.74) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL6108836 0.78 MAOB (0.71) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL6110320 0.78 MAOB (0.71) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL14326442 0.77 MAOB (0.59) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL3881980 0.77 MAOB (0.53) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL1656809 0.77 S1PR1 (0.64) MAOAALDH1A1CA12CA2CA3
SCHEMBL25697110 0.77 MAPT (0.68) MAOBMAOAKDM4EALDH1A1GLA

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-9572792-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2017-02-21 — — US disclosed
US-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. 2015-09-24 — — US disclosed
US-9073888-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2015-07-07 — — US disclosed
EP-2491023-B1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2014-12-31 — — EP disclosed
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2012-12-27 — — US disclosed
EP-2491023-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-08-29 — — EP disclosed
WO-2011050054-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-04-28 — — 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-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 MAOB 3447/4885MAOA 3579/4885KDM4E 4109/4885
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 MAOB 3447/4885MAOA 3579/4885KDM4E 4109/4885

“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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