SCHEMBL10196009

SCHEMBL10196009

CCc1ccc(Br)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PBRM1 Q86U86 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
APP P05067 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
SCHEMBL18874376 1.00 MAPK1 (0.33) MAPK1ESR1ESR2EDNRBEDNRA
SCHEMBL18873970 0.90 MAPK1 (0.35) MAPK1ESR1ESR2SMN1; SMN2LMNA
SCHEMBL10225630 0.90 MAPK1 (0.35) MAPK1ESR1ESR2SMN1; SMN2LMNA
SCHEMBL19071601 0.90 ANPEP (0.34) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL10196100 0.88 MAOA (0.36)
SCHEMBL19070977 0.88 MAOA (0.36)
SCHEMBL10196177 0.85 KDM4E (0.33) LMNA
SCHEMBL10196067 0.85 KDM4E (0.32) MAPK1HPGDMEN1KMT2A
SCHEMBL19070682 0.85 KDM4E (0.32) MAPK1HPGDMEN1KMT2A
SCHEMBL19070896 0.84 CYP4F2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
EP-2185564-B1 Herbicidally active cyclopentanedione compounds and derivatives thereof SYNGENTA LTD (GB) 2014-06-18 EP disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019005-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 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 (3 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAPK1 2263/4885ESR1 2091/4885ESR2 1787/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAPK1 2263/4885ESR1 2091/4885ESR2 1787/4885
US-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 MAPK1 2045/4885ESR1 2374/4885ESR2 2024/4885

“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.