SCHEMBL6727443

SCHEMBL6727443

Cc1cc(-c2ccccc2)cc(C)c1C1=C(OC(=O)C(C)C)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TBXA2R P21731 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ELANE P08246 1/20 0.30
OXTR P30559 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
SCHEMBL18873885 1.00 L3MBTL1 (0.33) L3MBTL1MEN1KMT2ATBXA2RCNR1
SCHEMBL18874243 0.89 L3MBTL1 (0.35) L3MBTL1MEN1KMT2ACNR1CNR2
SCHEMBL6727555 0.89 L3MBTL1 (0.35) L3MBTL1MEN1KMT2ACNR1CNR2
SCHEMBL10257942 0.87 LMNA (0.31) LMNASMN1; SMN2
SCHEMBL9110635 0.86 L3MBTL1 (0.33) L3MBTL1CNR1CNR2ALDH1A1LMNA
SCHEMBL6727746 0.86 L3MBTL1 (0.33) L3MBTL1CNR1CNR2ALDH1A1LMNA
SCHEMBL18873778 0.86 L3MBTL1 (0.33) L3MBTL1CNR1CNR2ALDH1A1LMNA
SCHEMBL18873805 0.80 ALDH1A1 (0.35) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6727428 0.80 ALDH1A1 (0.35) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6727345 0.79 L3MBTL1 (0.39) L3MBTL1CNR1CNR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 US disclosed
US-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 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-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
WO-2010127797-A2 CYCLOPENTANEDIONE COMPOUNDS AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-11-11 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-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides CYP51A1, CYP1B1, CBR3 L3MBTL1 2634/4885MEN1 1823/4885KMT2A 4194/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 L3MBTL1 1453/4885MEN1 4280/4885KMT2A 674/4885

“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.