SCHEMBL10079522

SCHEMBL10079522

Cc1cc(-c2ccccc2)cc(C)c1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.35
CYP11B2 P19099 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
LRRK2 Q5S007 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HSD17B10 Q99714 2/20 0.31
BRD4 O60885 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL10079467 0.85 TSHR (0.36) CYP11B2ALDH1A1MAPTMAPK1
SCHEMBL10079504 0.81 CYP11B2 (0.33) CYP11B2ALDH1A1MAPTCYP3A4HPGD
SCHEMBL10079502 0.79 LMNA (0.36) EHMT2CYP11B2ALDH1A1MAPTMEN1
SCHEMBL10079472 0.76 TSHR (0.33) EHMT2CYP11B2MEN1KMT2AHSD17B10
SCHEMBL15107412 0.75 ACACB (0.38) CYP11B2
SCHEMBL10079476 0.74 BRD4 (0.38) CYP11B2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10079523 0.74 HDAC2 (0.39) CYP11B2
SCHEMBL10079442 0.74 ACACB (0.45) CYP11B2
SCHEMBL15107418 0.74 MAOA (0.31) CYP11B2MAOAMAOB
SCHEMBL12134184 0.73 MAOA (0.35) EPHX1CYP2C9CYP2C19CYP3A4CYP2D6

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 10 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
WO-2010081689-A2 CYCLIC DIONES AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 WO 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
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 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-20120046464-A1 Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides DDT, CYP19A1, RDX EHMT2 3936/4885CYP11B2 465/4885EPHX1 1164/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD EHMT2 434/4885CYP11B2 1698/4885EPHX1 68/4885

“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.