SCHEMBL10079523

SCHEMBL10079523

Cc1ccc(-c2ccc(F)cc2)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.39
HDAC1 Q13547 2/20 0.39
ACACB O00763 11/20 0.36
ACACA Q13085 11/20 0.36
ABL1 P00519 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
MAPK14 Q16539 2/20 0.34
CYP11B2 P19099 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
SCHEMBL15107412 0.91 ACACB (0.38) ACACBACACAMAPK14CYP11B2
SCHEMBL10079442 0.89 ACACB (0.45) ACACBACACAMAPK14CYP11B2
SCHEMBL10079524 0.87 HDAC2 (0.39) HDAC2HDAC1ACACBACACACYP11B2
SCHEMBL10079505 0.84 CYP11B2 (0.36) CYP11B2
SCHEMBL10079476 0.83 BRD4 (0.38) MAPK14CYP11B2
SCHEMBL10079525 0.83 HDAC2 (0.34) HDAC2HDAC1CYP11B2
SCHEMBL15107417 0.80 PGR (0.35) ACACBACACACYP11B2
SCHEMBL10079502 0.78 LMNA (0.36) CYP11B2
SCHEMBL6113605 0.77 ACACB (0.47) ACACBACACACYP11B2
SCHEMBL10079443 0.76 CYP11B2 (0.38) HDAC2HDAC1ACACBACACACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487118-B2 Cyclic diones and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2013-07-16 US disclosed
US-8487118-B2 Cyclic diones and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2013-07-16 US disclosed
US-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-02-23 US disclosed
US-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-02-23 US disclosed
WO-2010081689-A2 CYCLIC DIONES AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 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 (1 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-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides DDT, CYP19A1, RDX HDAC2 800/4885HDAC1 462/4885ACACB 1253/4885

“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.