SCHEMBL405704

SCHEMBL405704

CCc1ccc(Br)cc1C1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.32
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL407767 1.00 SMN1; SMN2 (0.35) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL403551 0.91 L3MBTL1 (0.40) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL403121 0.91 L3MBTL1 (0.40) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL447513 0.91 L3MBTL1 (0.40) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL403031 0.84 LMNA (0.38) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL446693 0.84 LMNA (0.38) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL407231 0.83 LMNA (0.35) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL405703 0.83 LMNA (0.35) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL448707 0.83 LMNA (0.35) SMN1; SMN2TSHRL3MBTL1LMNAHPGD
SCHEMBL2122975 0.80 ALDH1A1 (0.38) SMN1; SMN2TSHRL3MBTL1LMNAHPGD

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 8 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
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2389066-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-30 EP disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SMN1; SMN2 2952/4885TSHR 1306/4885L3MBTL1 1453/4885
US-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SMN1; SMN2 2952/4885TSHR 1306/4885L3MBTL1 1453/4885

“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.