SCHEMBL3257044

SCHEMBL3257044

COC1=C(c2cnc(Cl)cc2C)C(=O)C2C3CCC(O3)C12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.33
▸ DHFR P00374 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL13058449 1.00 ABL1 (0.33) ABL1DHFRCHRNB2CHRNA4L3MBTL1
SCHEMBL10258213 0.78 L3MBTL1 (0.36) ABL1L3MBTL1
SCHEMBL10258411 0.77 MAOB (0.38) L3MBTL1
SCHEMBL10257831 0.76 SLC6A2 (0.36) L3MBTL1
SCHEMBL10257829 0.75 L3MBTL1 (0.35) L3MBTL1
SCHEMBL10258222 0.74 KDM4E (0.34) —
SCHEMBL10258070 0.72 L3MBTL1 (0.34) L3MBTL1
SCHEMBL16196724 0.71 L3MBTL1 (0.33) L3MBTL1
SCHEMBL15001710 0.71 L3MBTL1 (0.33) L3MBTL1
SCHEMBL13058577 0.71 L3MBTL1 (0.32) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188294-B1 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES SYNGENTA LTD (GB) 2015-03-18 — — EP disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
EP-2188294-A2 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES Syngenta Limited (GB) 2010-05-26 — — EP disclosed
WO-2009030450-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-03-12 — — 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-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 ABL1 687/4885DHFR 27/4885CHRNB2 2174/4885

“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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