SCHEMBL3314628

SCHEMBL3314628

CC(C)[Si](OCc1ccc(C(=O)O)s1)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.41
LIG1 P18858 1/20 0.41
DAO P14920 5/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NR4A2 P43354 1/20 0.37
PTGER2 P43116 4/20 0.36
PTGDR Q13258 2/20 0.36
PTGER3 P43115 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34

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
SCHEMBL29064997 0.79 MRGPRX4 (0.48) MRGPRX4TP53PKMLIG1DAO
SCHEMBL3584022 0.78 MRGPRX4 (0.45) MRGPRX4TP53PKMLIG1DAO
SCHEMBL836468 0.76 MRGPRX4 (0.51) MRGPRX4TP53PKMLIG1DAO
SCHEMBL261525 0.73 ALDH1A1 (0.66) MRGPRX4TP53PKMLIG1DAO
SCHEMBL7013256 0.70 ALDH1A1 (0.46) MRGPRX4TP53PKMLIG1DAO
SCHEMBL262044 0.70 HPGD (0.56) MRGPRX4TP53PKMLIG1DAO
SCHEMBL17586412 0.69 DAO (0.48) MRGPRX4TP53PKMLIG1DAO
SCHEMBL9684214 0.69 DAO (0.44) MRGPRX4TP53PKMLIG1DAO
SCHEMBL3272099 0.69 RXRA (0.53) ALDH1A1NR4A2
SCHEMBL17686819 0.69 NPC1 (0.56) MRGPRX4ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2123651-A1 CONDENSED PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-11-25 EP 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-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 MRGPRX4 637/4885TP53 328/4885PKM 1063/4885

“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.