SCHEMBL14993222

SCHEMBL14993222

COC1=C(c2c(C)cc(Br)cc2C)C(=O)C(C(O)c2ccccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ MAOA P21397 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL427546 0.81 TP53 (0.34) TP53KDM4EMAOAALDH1A1
SCHEMBL15001123 0.75 L3MBTL1 (0.32) ALDH1A1
SCHEMBL14992682 0.75 PDE4D (0.45) TP53KDM4EALDH1A1CYP19A1ACHE
SCHEMBL988612 0.73 ACHE (0.32) ACHE
SCHEMBL15821824 0.72 DRD4 (0.33) KDM4EMAOAALDH1A1
SCHEMBL14993571 0.72 ACHE (0.32) ACHE
SCHEMBL14993225 0.71 ALDH1A1 (0.34) ALDH1A1CYP19A1ACHE
SCHEMBL430378 0.69 MAPT (0.34) KDM4EMAOAALDH1A1
SCHEMBL429853 0.68 ACHE (0.32) ALDH1A1ACHE
SCHEMBL986617 0.66 ACHE (0.35) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 — — EP disclosed
EP-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 — — EP disclosed
US-9107415-B2 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof SYNGENTA PARTICPATIONS AG (CH) 2015-08-18 — — US disclosed
US-9107415-B2 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof SYNGENTA PARTICPATIONS AG (CH) 2015-08-18 — — US disclosed
US-9107415-B2 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof SYNGENTA PARTICPATIONS AG (CH) 2015-08-18 — — US disclosed
US-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — US disclosed
US-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — US disclosed
US-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — US disclosed
EP-2785181-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF Syngenta Limited (GB) 2014-10-08 — — EP disclosed
WO-2013079708-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2013-06-06 — — WO disclosed
WO-2013079708-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2013-06-06 — — 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-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF CNPY2, CBR3, CBR1 TP53 4112/4885KDM4E 280/4885MAOA 2377/4885

“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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