SCHEMBL10079732

SCHEMBL10079732

CCc1cc(C)cc(CC)c1C1=C(OC(=O)Oc2ccccc2)CC2(CCOCC2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.34
TSHR P16473 6/20 0.32
CYP3A4 P08684 5/20 0.32
MAPK1 P28482 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.31
USP2 O75604 2/20 0.31
ALOX5 P09917 1/20 0.30
CYP2C9 P11712 3/20 0.30
S1PR2 O95136 1/20 0.30
HIF1A Q16665 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
SCHEMBL10079729 0.89 MEN1 (0.36) EHMT2TSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL10079730 0.88 EHMT2 (0.30) EHMT2
SCHEMBL13263832 0.87 EHMT2 (0.33) EHMT2
SCHEMBL10079698 0.85 EHMT2 (0.31) EHMT2
SCHEMBL10079739 0.85
SCHEMBL10079706 0.84 EHMT2 (0.30) EHMT2
SCHEMBL13263830 0.84 EHMT2 (0.34) EHMT2ALOX5
SCHEMBL10079733 0.83
SCHEMBL10079734 0.83 EHMT2 (0.30) EHMT2
SCHEMBL10079735 0.83 ALDH1A1 (0.30) TSHRMAPK1ALDH1A1

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 8 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
US-8084649-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-8084649-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-20100173774-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-08 US disclosed
US-20100173774-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-08 US 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-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides DDT, CYP19A1, RDX EHMT2 3936/4885TSHR 463/4885CYP3A4 352/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD EHMT2 434/4885TSHR 1913/4885CYP3A4 359/4885

“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.