SCHEMBL6727428

SCHEMBL6727428

Cc1cc(-c2ccccc2)cc(C)c1C1=C(OC(=O)c2c(C)noc2C)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
USP2 O75604 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP2D6 P10635 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FTO Q9C0B1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
BRD4 O60885 2/20 0.34
BRD2 P25440 1/20 0.34
ATM Q13315 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL18873805 1.00 ALDH1A1 (0.35) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6727555 0.83 L3MBTL1 (0.35) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL18874243 0.83 L3MBTL1 (0.35) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL18873885 0.80 L3MBTL1 (0.33) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6727443 0.80 L3MBTL1 (0.33) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6727746 0.80 L3MBTL1 (0.33) ALDH1A1L3MBTL1LMNA
SCHEMBL9110635 0.80 L3MBTL1 (0.33) ALDH1A1L3MBTL1LMNA
SCHEMBL18873778 0.80 L3MBTL1 (0.33) ALDH1A1L3MBTL1LMNA
SCHEMBL6727345 0.74 L3MBTL1 (0.39) ALDH1A1L3MBTL1BRD4LMNA
SCHEMBL18874119 0.74 L3MBTL1 (0.39) ALDH1A1L3MBTL1BRD4LMNA

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-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
WO-2009019015-A1 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 (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 ALDH1A1 164/4885MEN1 1823/4885KMT2A 4194/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MEN1 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.