SCHEMBL2179926

SCHEMBL2179926

COCCC(=O)N[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.54
ACACB O00763 2/20 0.50
LMNA P02545 1/20 0.50
PRCP P42785 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
ACACA Q13085 1/20 0.46
BRAF P15056 2/20 0.46

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
SCHEMBL2181162 1.00 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2ACACBLMNAPRCP
SCHEMBL23135445 0.84 MAPT (0.65) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL3039940 0.82 GAA (0.48) ALDH1A1ACACBHPGDGAAKMT2A
SCHEMBL3034757 0.82 GAA (0.48) ALDH1A1ACACBHPGDGAAKMT2A
SCHEMBL3031249 0.82 GAA (0.48) ALDH1A1ACACBHPGDGAAKMT2A
SCHEMBL10066478 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNANPSR1POLB
SCHEMBL9953212 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNANPSR1POLB
SCHEMBL2178915 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2ACACBLMNANPSR1
SCHEMBL1697719 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2ACACBLMNANPSR1
SCHEMBL1697716 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2ACACBLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844299-B Desinsection aryl-pyrrolidine alkane BAYER CROPSCIENCE AG (DE) 2016-03-30 CN disclosed
EP-2519499-B1 PESTICIDAL ARYLPYRROLIDINES BAYER IP GMBH (DE) 2013-09-18 EP disclosed
US-8536201-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-17 US disclosed
US-20120322833-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
EP-2519499-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2012-11-07 EP disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 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-20120322833-A1 Pesticidal Arylpyrrolidines DDT, CYP4X1, CHRM2 ALDH1A1 1542/4885SMN1; SMN2 3354/4885ACACB 4402/4885

“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.