SCHEMBL1160564

SCHEMBL1160564

COC1=C(c2cc(-c3ccc(Cl)cc3)sc2C)C(=O)C(C(O)C2CCOCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ PRKDC P78527 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ MCHR1 Q99705 4/20 0.31
▸ ACHE P22303 4/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CACNA1B Q00975 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL1160406 0.78 BCHE (0.35) MDM2PRKDCMCHR1ACHEPIK3CA
SCHEMBL1160757 0.76 PTGDR2 (0.38) MDM4MDM2KDM4EMAPT
SCHEMBL9106301 0.76 MDM4 (0.34) MDM4MDM2ACHECYP2D6
SCHEMBL1653644 0.72 ACHE (0.32) ACHE
SCHEMBL1160583 0.72 MAPT (0.37) PRKDCKDM4ENPC1MAPTCASP3
SCHEMBL14993571 0.71 ACHE (0.32) ACHE
SCHEMBL12239200 0.71 ACHE (0.32) ACHE
SCHEMBL12239435 0.68 PDE4A (0.32) ACHE
SCHEMBL1654916 0.67 ACHE (0.34) KDM4EACHEBRD4
SCHEMBL17012032 0.64 ACACB (0.43) 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-2459547-B1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-04-20 — — EP disclosed
EP-2459547-B1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-04-20 — — EP disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
EP-2459547-A1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF Syngenta Limited (GB) 2012-06-06 — — EP disclosed
WO-2011012862-A1 HERBICIDALLY ACTIVE HETEROARYL-SΥBSTITΥTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2011-02-03 — — WO disclosed
WO-2011012862-A1 HERBICIDALLY ACTIVE HETEROARYL-SΥBSTITΥTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2011-02-03 — — 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 (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-20120202691-A1 NOVEL HERBICIDES DDT, HCN1, HDHD5 MDM4 2208/4885MDM2 1002/4885PRKDC 4687/4885

“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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