SCHEMBL6727362

SCHEMBL6727362

CCc1cc(-c2ccc(C)cc2)cc(CC)c1C1C(=O)[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 2/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
PPM1B O75688 1/20 0.30
PPP1CC P36873 1/20 0.30
TFPI2 P48307 1/20 0.30
RAB9A P51151 1/20 0.30
PPP5C P53041 1/20 0.30
PPP1CA P62136 1/20 0.30
PMP22 Q01453 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 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
SCHEMBL18873867 1.00 L3MBTL1 (0.33) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2122933 0.86 LMNA (0.36) L3MBTL1LMNASMN1; SMN2KDM4EGMNN
SCHEMBL18873798 0.85 L3MBTL1 (0.38) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6727399 0.85 L3MBTL1 (0.38) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6727392 0.81 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL18874125 0.81 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL18874123 0.76 NPC1 (0.32) L3MBTL1SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL6727888 0.75 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2KDM4ERAB9A
SCHEMBL6727919 0.75 L3MBTL1 (0.36) L3MBTL1LMNACNR1CNR2
SCHEMBL6727333 0.75 L3MBTL1 (0.36) L3MBTL1LMNASMN1; SMN2KMT2AKDM4E

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 L3MBTL1 2634/4885LMNA 3947/4885SMN1; SMN2 3846/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 L3MBTL1 1453/4885LMNA 4657/4885SMN1; SMN2 2952/4885

“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.