SCHEMBL6479296

SCHEMBL6479296

Oc1cccc(OCC(O)CNCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.53
ADRB2 P07550 5/20 0.53
ADRB1 P08588 4/20 0.53
CALM1 P0DP23 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2605637 0.89 ADRB2 (0.61) ADRB3ADRB2ADRB1KDM4EALDH1A1
SCHEMBL19196175 0.83 LMNA (0.63) ADRB3ADRB2ADRB1KDM4EALDH1A1
SCHEMBL19181215 0.83 LMNA (0.63) ADRB3ADRB2ADRB1KDM4EALDH1A1
SCHEMBL22964154 0.78 CALM1 (0.64) CALM1ALDH1A1TSHRHPGDHTT
SCHEMBL14740400 0.78 MAPT (0.56) ADRB3ADRB2ADRB1ALDH1A1MAPT
SCHEMBL109055 0.72 ADRB3 (0.65) ADRB3ADRB2ADRB1
SCHEMBL1912854 0.72 KMT2A (0.62) KDM4EALDH1A1TSHRHPGDMAPT
SCHEMBL7116286 0.72 ADRB2 (0.65) ADRB3ADRB2ADRB1ALDH1A1HTT
SCHEMBL109279 0.69 ALDH1A1 (0.67) KDM4EALDH1A1TSHRHPGDGAA
SCHEMBL1039148 0.69 ALDH1A1 (0.76) KDM4EALDH1A1TSHRHPGDGAA

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-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
EP-0937063-B1 ARYLOXYPROPANOLAMINE DERIVATIVES, METHOD OF PREPARATION AND APPLICATIONS THEREOF VIRBAC SA (FR) 2002-04-10 EP 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 ADRB3 38/4885ADRB2 43/4885ADRB1 151/4885
US-20030158259-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof PAOX, ACOX3, FABP4 ADRB3 38/4885ADRB2 40/4885ADRB1 133/4885

“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.