SCHEMBL2554893

SCHEMBL2554893

COCC(=O)NC1CCc2cc(C(C)=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KMT2A Q03164 3/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCRTR1 O43613 4/20 0.42

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
SCHEMBL24120 0.86 CA12 (0.48) CA12CA7CA14CA1CA2
SCHEMBL14890057 0.84 NPC1 (0.48) CA12CA7CA14CA1CA2
SCHEMBL14890213 0.84 CA12 (0.55) CA12CA7CA14CA1CA2
SCHEMBL2575691 0.83 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL14890086 0.82 CA12 (0.45) CA12CA7CA14CA1CA2
SCHEMBL14889950 0.81 CA12 (0.50) PKMCA12CA7CA14CA1
SCHEMBL2575983 0.81 CA12 (0.51) CA12CA7CA14CA1CA2
SCHEMBL21480496 0.80 ALDH1A1 (0.59) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL13683334 0.80 ALDH1A1 (0.59) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL2575564 0.79 CA12 (0.54) CA12CA7CA14CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-02 US disclosed
CN-103038213-A Process for the preparation of pyrrolines from gamma-nitroketones, use of the gamma-nitroketones as pesticidal agents BAYER CROPSCIENCE AG 2013-04-10 CN disclosed
EP-2558444-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS Bayer Intellectual Property GmbH (DE) 2013-02-20 EP disclosed
WO-2011128299-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2011-10-20 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-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS NOS2, PDXK, GSTK1 PKM 58/4885CA12 3988/4885CA7 1037/4885

“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.