SCHEMBL5031758

SCHEMBL5031758

CCOC(c1ccc(OC(C)C)c(F)c1)c1c(C)n(C(C)C)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 19/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5035229 0.91 ALDH1A1 (0.38) P2RX3ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL14285915 0.85 ALDH1A1 (0.38) P2RX3ALDH1A1GAAMAPTHPGD
SCHEMBL14626454 0.83 ALDH1A1 (0.37) P2RX3ALDH1A1GAAMAPTHPGD
SCHEMBL5028711 0.79 POLB (0.32) P2RX3ALDH1A1
SCHEMBL14285916 0.78 ALDH1A1 (0.40) P2RX3ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL14626457 0.77 ALDH1A1 (0.39) P2RX3ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL5030915 0.76 GPR139 (0.30)
SCHEMBL5030916 0.75 MEN1 (0.32) ALDH1A1GAAMAPT
SCHEMBL5030933 0.75
SCHEMBL5035241 0.74 MAPT (0.35) ALDH1A1GAAMAPTHPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes CYP4B1, CYP1B1, CYP11B1 P2RX3 713/4885ALDH1A1 622/4885GAA 368/4885

“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.