SCHEMBL10079774

SCHEMBL10079774

CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)CC2(CCOCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 5/20 0.33
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ATM Q13315 2/20 0.32
RAD52 P43351 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
FKBP1A P62942 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL10079775 0.90 ATM (0.32) ALDH1A1TSHRBRD4KDM4EATM
SCHEMBL10079776 0.85 ACACB (0.37) ALDH1A1TSHRKMT2ABRD4KDM4E
SCHEMBL13263968 0.82 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL10079730 0.81 EHMT2 (0.30) KMT2AKDM4EMEN1
SCHEMBL10079778 0.80 ALDH1A1 (0.32) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL10079476 0.79 BRD4 (0.38) ALDH1A1KMT2ABRD4KDM4EATM
SCHEMBL13263633 0.77 ALDH1A1 (0.31) ALDH1A1TSHRBRD4
SCHEMBL10079734 0.73 EHMT2 (0.30)
SCHEMBL10079735 0.73 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL10079733 0.73

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 ALDH1A1 329/4885TSHR 463/4885KMT2A 2985/4885
US-20100173774-A1 NOVEL HERBICIDES DDT, HDHD5, HPD ALDH1A1 254/4885TSHR 1913/4885KMT2A 1123/4885

“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.