SCHEMBL1334635

SCHEMBL1334635

O=C1COCC(=O)C1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
PTGS2 P35354 1/20 0.31
FKBP1A P62942 1/20 0.30
CYB5R3 P00387 1/20 0.30
CYP3A4 P08684 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
SCHEMBL876024 0.70 CYP1A2 (0.48) MAPTPOLBHSD17B10LMNACYP3A4
SCHEMBL809471 0.67 DDB1 (0.45) MAPTHPGDALDH1A1POLBF2
SCHEMBL472476 0.65 KDM4C (0.51) MAPTHPGDALDH1A1POLBF2
SCHEMBL20503175 0.64 ALDH1A1 (0.43) MAPTHPGDALDH1A1F2PRSS1
SCHEMBL9814781 0.63 MAPT (0.53) MAPTALDH1A1POLBHSD17B10LMNA
SCHEMBL6294238 0.63 MAPT (0.38) MAPTHPGDALDH1A1POLBDDB1
SCHEMBL17147873 0.63 CARM1 (0.44) MAPTHPGDALDH1A1F2PRSS1
SCHEMBL4394465 0.62 F2 (0.45) MAPTHPGDALDH1A1POLBF2
SCHEMBL809509 0.62 ALDH1A1 (0.54) MAPTALDH1A1POLBF2PRSS1
SCHEMBL4459810 0.62 DDB1 (0.44) MAPTHPGDALDH1A1POLBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
CN-101918386-B 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LTD 2013-11-13 CN disclosed
US-20110281883-A1 4-Phenyl-pyrane-3,5-diones, 4-Phenyl-thiopyrane-3,5-diones and Cyclohexanetriones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2011-11-17 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 (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-20110281883-A1 4-Phenyl-pyrane-3,5-diones, 4-Phenyl-thiopyrane-3,5-diones and Cyclohexanetriones and Their Use as Insecticides, Acaricides and/or Fungicides DDT, CYP4B1, CYP1B1 MAPT 3153/4885HPGD 2471/4885ALDH1A1 209/4885

“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.