SCHEMBL4067016

SCHEMBL4067016

CC(C)COc1ccc(Cl)cc1B(O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
PTGER1 P34995 9/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ENPP2 Q13822 1/20 0.43
TBXA2R P21731 1/20 0.41
PPARG P37231 1/20 0.41
PTGER3 P43115 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN4A P35499 1/20 0.39

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
SCHEMBL29952989 0.87 KDM1A (0.48) KDM1APTGER1ALDH1A1GAAENPP2
SCHEMBL29955141 0.81 ALDH1A1 (0.49) KDM1AALDH1A1GAAADORA3
SCHEMBL12538847 0.81 ALDH1A1 (0.49) KDM1AALDH1A1GAAADORA3
SCHEMBL2006689 0.81 TSHR (0.53) GAAENPP2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL2553619 0.80 ALDH1A1 (0.44) KDM1AALDH1A1GAA
SCHEMBL3727775 0.79 KDM1A (0.54) KDM1APTGER1ALDH1A1GAATBXA2R
SCHEMBL9967704 0.79 KDM1A (0.56) KDM1AALDH1A1GAACYP1A2CYP2D6
SCHEMBL2635090 0.78 KDM4E (0.48) PTGER1ALDH1A1GAAENPP2TP53
SCHEMBL29955101 0.78 ENPP2 (0.44) ALDH1A1ENPP2LMNASMN1; SMN2
SCHEMBL16348386 0.78 ENPP2 (0.44) ALDH1A1ENPP2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-2013181-A1 PYRIDYL COMPOUNDS Glaxo Group Limited (GB) 2009-01-14 EP disclosed
WO-2007128752-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 WO disclosed
WO-2007128752-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 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-20090099177-A1 PYRIDYL COMPOUNDS CYP2C19, CYP4F3, C5 KDM1A 2430/4885PTGER1 180/4885ALDH1A1 551/4885

“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.