SCHEMBL12129556

SCHEMBL12129556

O=C(Oc1ccccc1)c1cccc(COOc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 3/20 0.50
MRGPRX4 Q96LA9 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.47
NR4A2 P43354 2/20 0.47
NSD2 O96028 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
F10 P00742 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LOXL2 Q9Y4K0 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
SCHEMBL14202644 0.86 MAPT (0.46) SMN1; SMN2MAPTTDP1NSD2ALDH1A1
SCHEMBL10778415 0.81 MAPT (0.56) SMN1; SMN2MAPTTDP1MAPK1NSD2
SCHEMBL26192060 0.81 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMRGPRX4TDP1MAPK1
SCHEMBL9339370 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMRGPRX4TDP1MAPK1
SCHEMBL8872859 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTDP1MAPK1NR4A2
SCHEMBL14202651 0.79 MAPT (0.46) SMN1; SMN2MAPTTDP1MAPK1NR4A2
SCHEMBL16666454 0.79 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMRGPRX4TDP1MAPK1
SCHEMBL27973888 0.79 NR4A2 (0.74) MRGPRX4NR4A2MAOBALDH1A1
SCHEMBL69684 0.79 NSD2 (0.63) MAPTTDP1MAPK1NSD2ESR1
SCHEMBL9368330 0.78 MRGPRX4 (0.76) SMN1; SMN2MRGPRX4NR4A2MAOBALDH1A1

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-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 US disclosed
US-8039125-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-10-18 US disclosed
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 US disclosed
US-20090289224-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 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-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 SMN1; SMN2 4382/4885MAPT 3682/4885MRGPRX4 975/4885
US-20090289224-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 SMN1; SMN2 4382/4885MAPT 3682/4885MRGPRX4 975/4885

“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.