SCHEMBL2010955

SCHEMBL2010955

O=C1COCC(=O)C1c1cccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SLC5A2 P31639 1/20 0.39
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
MGLL Q99685 1/20 0.36
PSMB8 P28062 1/20 0.36
KDM1A O60341 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HSD17B2 P37059 1/20 0.35
KMO O15229 1/20 0.35

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 0.82 CYP1A2 (0.48) MAOAKDM1AHTR2CHTR2BMAOB
SCHEMBL30355340 0.71 HTR2C (0.43) HDAC4HDAC2HDAC8SLC5A2HTT
SCHEMBL21711525 0.71 HTR2C (0.43) HDAC4HDAC2HDAC8SLC5A2HTT
SCHEMBL27948099 0.69 NPC1 (0.48) MAOAHDAC4HDAC2HDAC8SLC5A2
SCHEMBL7005495 0.68 KDM1A (0.68) MAOAKDM1AHTR2CMAOB
SCHEMBL7005493 0.68 KDM1A (0.68) MAOAKDM1AHTR2CMAOB
SCHEMBL24593954 0.68 CTRB1 (0.39) HDAC4HDAC2HDAC8SLC5A2ALDH1A1
SCHEMBL9429108 0.68 HTR2A (0.44) MAOAHDAC4HDAC2HDAC8SLC5A2
SCHEMBL12676483 0.68 MAPT (0.69) HDAC4HDAC2HDAC8HTR2AHTR2C
SCHEMBL8533570 0.66 CYP1A2 (0.43) MAOAKDM1AHTR2CHTR2BMAOB

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-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (US) 2013-05-30 US disclosed
EP-2523555-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES Syngenta Limited (GB) 2012-11-21 EP disclosed
WO-2011073616-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (GB) 2011-06-23 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-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES FOXM1, ARSA, RPS21 MAOA 1230/4885HDAC4 1165/4885HDAC2 1120/4885

“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.