SCHEMBL3266274

SCHEMBL3266274

COc1ccc(COC(=O)C(Cc2ccccc2)NC(=O)OCC2C3=C(C=CCC3)c3ccccc32)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MDM2 Q00987 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 2/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13342847 1.00 CAPN1 (0.38) CAPN1ALDH1A1MDM2ALOX15NPC1
SCHEMBL233300 0.88 MDM2 (0.47) CAPN1ALDH1A1MDM2ALOX15NPC1
SCHEMBL13928511 0.88 MDM2 (0.47) CAPN1ALDH1A1MDM2ALOX15NPC1
SCHEMBL3224249 0.82 MDM4 (0.44) MDM2LMNA
SCHEMBL3264342 0.82 MDM4 (0.44) MDM2LMNA
SCHEMBL12629195 0.80 PTPN1 (0.34) ALDH1A1MDM2ALOX15MAPTMEN1
SCHEMBL30431821 0.79 MDM2 (0.49) MDM2MEN1KMT2APTPN1
SCHEMBL19296186 0.78 MDM2 (0.43) MDM2KMT2APTPN1
SCHEMBL20597255 0.78 MDM2 (0.43) MDM2KMT2APTPN1
SCHEMBL38666359 0.76 MDM2 (0.53) ALDH1A1MDM2ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 US disclosed
US-20120027783-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 US disclosed
US-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 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 (5 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-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885MDM2 1786/4885
US-20120027783-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885MDM2 1786/4885
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885MDM2 1786/4885
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885MDM2 1786/4885
US-20120034246-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CAPN1 4252/4885ALDH1A1 3456/4885MDM2 1786/4885

“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.