SCHEMBL439343

SCHEMBL439343

CCOC(=O)c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.49
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
TRPV3 Q8NET8 1/20 0.46
TSHR P16473 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
PKM P14618 1/20 0.45
PRMT5 O14744 2/20 0.45

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
SCHEMBL31186042 1.00 TP53 (0.54) TP53POLBALDH1A1LMNAMEN1
SCHEMBL3466225 0.90 GPR119 (0.48) GAASMN1; SMN2KDM4ETHRBMAPT
SCHEMBL1557415 0.88 TRPV3 (0.48) ALDH1A1MEN1KMT2AKDM4ETHRB
SCHEMBL17837389 0.85 GPR119 (0.50) KDM4ETHRBMAPTTRPV3GPR119
SCHEMBL439486 0.85 GPR119 (0.51) POLBALDH1A1MEN1GAAKMT2A
SCHEMBL31186133 0.83 CYP1A2 (0.57) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL20140593 0.83 HTR1A (0.54) KDM4ETHRBMAPTTRPV3GPR119
SCHEMBL25952601 0.82 HPGD (0.49) TP53POLBALDH1A1MEN1GAA
SCHEMBL12853455 0.82 LMNA (0.56) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL15019940 0.82 CYP1A2 (0.68) POLBALDH1A1MEN1GAAKMT2A

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
EP-2464630-B1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2016-05-25 EP disclosed
US-8748420-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-8604040-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2013-06-06 US disclosed
EP-2576539-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES Bayer CropScience AG (DE) 2013-04-10 EP disclosed
US-8367844-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION LLC (US) 2013-02-05 US disclosed
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US disclosed
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2011147765-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-01 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 (4 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-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 TP53 1891/4885POLB 4515/4885ALDH1A1 1009/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 TP53 2091/4885POLB 4552/4885ALDH1A1 1051/4885
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CBR3 TP53 3848/4885POLB 3585/4885ALDH1A1 2654/4885
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CX3CR1 TP53 3947/4885POLB 3633/4885ALDH1A1 2865/4885

“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.