SCHEMBL4594045

SCHEMBL4594045

Cc1[nH][nH]c(=O)c1Cc1ccc(OC(C)C)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 14/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DAO P14920 2/20 0.38
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TRPC5 Q9UL62 1/20 0.35

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
SCHEMBL2044189 0.85 DAO (0.43) MAPTALDH1A1GAASMN1; SMN2DAO
SCHEMBL4593622 0.83 ALDH1A1 (0.45) MAPTALDH1A1GAASMN1; SMN2DAO
Hydrazine SCHEMBL3176538 0.83 DAO (0.41) MAPTALDH1A1GAASMN1; SMN2DAO
SCHEMBL2046069 0.79 DAO (0.57) GAADAO
SCHEMBL5028718 0.78 P2RX3 (0.43) P2RX3
SCHEMBL2253214 0.78 MAPT (0.57) P2RX3MAPTALDH1A1GAASMN1; SMN2
SCHEMBL14626489 0.77 DAO (0.42) MAPTALDH1A1GAASMN1; SMN2DAO
SCHEMBL4593547 0.74 LMNA (0.39) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL21981585 0.73 DAO (0.51) MAPTALDH1A1GAAHPGDDAO
SCHEMBL16160325 0.71 CSNK2A1 (0.45) P2RX3

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
EP-1910391-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP 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
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
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 713/4885MAPT 4364/4885ALDH1A1 622/4885

“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.