SCHEMBL5880249

SCHEMBL5880249

CCc1ccc(OC)cc1OCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PTPN1 P18031 1/20 0.47
HTR7 P34969 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 1/20 0.43
FLT3 P36888 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL13634449 0.82 L3MBTL1 (0.51) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL24075695 0.80 APLNR (0.50) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL30129318 0.79 PTPN1 (0.48) ALDH1A1MTNR1AMTNR1BPTPN1HTR7
SCHEMBL8139321 0.79 KDM4E (0.53) NOS3NOS1KDM4EALDH1A1MAPT
SCHEMBL1962740 0.79 ALDH1A1 (0.56) NOS3NOS1KDM4EALDH1A1MAPT
SCHEMBL7401331 0.79 NOS3 (0.49) NOS3NOS1KDM4EALDH1A1MAPT
SCHEMBL15178358 0.79 PTPN1 (0.46) KDM4EALDH1A1MTNR1AMTNR1BPTPN1
SCHEMBL20456047 0.79 ALDH1A1 (0.61) KDM4EALDH1A1L3MBTL1PTPN1HTR7
SCHEMBL15730490 0.78 HTR7 (0.60) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL805138 0.77 APLNR (0.66) ALDH1A1MAPT

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-7045652-B2 From alkyl boronic esters; intermediates in the preparation of 2-amino-6-(substituted-4-phenoxy)-substituted-pyridines PFIZER INC (US) 2006-05-16 US disclosed
EP-1519940-A1 SUBSTITUTED ARYL BORONIC ACIDS, THEIR PREPARATION AND THEIR PRECURSORS Pfizer Products Inc. (US) 2005-04-06 EP disclosed
US-20040038940-A1 Processes for preparing substituted aryl boronic acids PFIZER INC. 2004-02-26 US disclosed
WO-2004005301-A1 SUBSTITUTED ARYL BORONIC ACIDS, THEIR PREPARATION AND THEIR PRECURSORS PFIZER PRODUCTS INC. (US) 2004-01-15 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-20040038940-A1 Processes for preparing substituted aryl boronic acids NOS1, NOS2, CYP1B1 NOS3 6/4885NOS1 1/4885KDM4E 665/4885

“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.