SCHEMBL10079524

SCHEMBL10079524

O=C1CC2(CCOCC2)CC(O)=C1c1cc(-c2ccc(F)cc2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.39
HDAC1 Q13547 4/20 0.39
CYP11B2 P19099 2/20 0.34
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
PGR P06401 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
OPRL1 P41146 2/20 0.32
HDAC3 O15379 2/20 0.31
ACACB O00763 3/20 0.31
ACACA Q13085 3/20 0.31
CTSL P07711 1/20 0.31
GRIN2B Q13224 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
SCHEMBL15107417 0.89 PGR (0.35) CYP11B2PGRACACBACACA
SCHEMBL10079523 0.87 HDAC2 (0.39) HDAC2HDAC1CYP11B2ACACBACACA
SCHEMBL10079442 0.80 ACACB (0.45) CYP11B2ACACBACACA
SCHEMBL10079443 0.78 CYP11B2 (0.38) HDAC2HDAC1CYP11B2PGRACACB
SCHEMBL15107412 0.77 ACACB (0.38) CYP11B2ACACBACACA
SCHEMBL10079505 0.77 CYP11B2 (0.36) CYP11B2PGROPRL1GRIN2B
SCHEMBL6113540 0.76 ACACB (0.52) HDAC2HDAC1MMP1MMP13ACACB
SCHEMBL13263793 0.74 HDAC2 (0.32) HDAC2HDAC1
SCHEMBL10079525 0.74 HDAC2 (0.34) HDAC2HDAC1CYP11B2
SCHEMBL10079512 0.72 CYP11B2 (0.39) CYP11B2

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 462/4885CYP11B2 465/4885

“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.