SCHEMBL6489950

SCHEMBL6489950

O=C(O)COc1ccc(CNC(=O)C(O)COc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
PTPN7 P35236 1/20 0.51
PTPN12 Q05209 1/20 0.51
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
MME P08473 2/20 0.47
ALOX12 P18054 1/20 0.47
ADAMTS5 Q9UNA0 2/20 0.46
FFAR1 O14842 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 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
SCHEMBL6480317 0.86 KMT2A (0.48) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL22060040 0.79 EPHX2 (0.58) KMT2AHPGDALOX15MEN1ALDH1A1
SCHEMBL14285632 0.73 EPHX2 (0.73) KMT2AHPGDALOX15MEN1EPHX2
SCHEMBL8468149 0.73 LMNA (0.59) ALOX15ADRB2ADRB1ADRB3
SCHEMBL2731803 0.73 LMNA (0.59) ALOX15ADRB2ADRB1ADRB3
SCHEMBL9283760 0.73 LMNA (0.59) ALOX15ADRB2ADRB1ADRB3
SCHEMBL5421055 0.73 LMNA (0.59) ALOX15ADRB2ADRB1ADRB3
SCHEMBL17547180 0.73 CA12 (0.67) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL18643013 0.73 CA12 (0.67) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL28138390 0.73 CA12 (0.67) KMT2AHPGDMEN1ALDH1A1MAPT

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-6890955-B2 Aryloxypropanolamine derivatives, method of preparation and applications thereof VIRBAC SA (FR) 2005-05-10 US disclosed
US-20030158259-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof VIRBAC SA 2003-08-21 US disclosed
US-20020019440-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof VIRBAC SA 2002-02-14 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 (2 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-20020019440-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof FABP4, CCNO, PAOX KMT2A 1561/4885HPGD 558/4885ALOX15 383/4885
US-20030158259-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof PAOX, ACOX3, FABP4 KMT2A 1519/4885HPGD 843/4885ALOX15 421/4885

“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.