SCHEMBL12102411

SCHEMBL12102411

[C-]#[N+]c1cc(C(=O)O)ccc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.41
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.36
B3GNT2 Q9NY97 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
CRHBP P24387 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
CRHR2 Q13324 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL12102391 0.84 KDM4E (0.43) KDM4EMEN1LMNAHPGDHTT
SCHEMBL1355576 0.77 ACE2 (0.45) ACE2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL2538201 0.77 EPHX2 (0.49) ACE2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL23346538 0.77 ALDH1A1 (0.46) ACE2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL7772612 0.77 KDM4E (0.52) ACE2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL14485550 0.76 ACE2 (0.55) ACE2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL400398 0.76 TSHR (0.53) ACE2KDM4EMEN1LMNAHPGD
SCHEMBL3128273 0.76 EPHX2 (0.50) ACE2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL1356439 0.75 ACE2 (0.50) ACE2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL27363777 0.74 ALOX15 (0.44) ACE2GRIN2DGRIN2AGRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 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 (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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 ACE2 262/4885GRIN2D 1229/4885GRIN2A 279/4885

“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.