SCHEMBL5033157

SCHEMBL5033157

CCOC(c1ccc(OC)cc1F)c1c(C)n(C2CCC2)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CPS1 P31327 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MPI P34949 1/20 0.32
GNRHR P30968 1/20 0.32
KDM2B Q8NHM5 4/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MGLL Q99685 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL14285907 0.86 POLB (0.38) HTTPOLBHPGDALDH1A1CPS1
SCHEMBL14626453 0.85 POLB (0.37) POLBHPGDALDH1A1CPS1USP2
SCHEMBL3745941 0.82 ATM (0.34) POLBCPS1MAPTMEN1KMT2A
SCHEMBL4593437 0.79 ALDH1A1 (0.35) HTTPOLBALDH1A1MEN1KMT2A
SCHEMBL5030966 0.74 POLB (0.38) HTTPOLBHPGDALDH1A1CPS1
SCHEMBL5035241 0.74 MAPT (0.35) POLBHPGDALDH1A1CPS1MAPT
SCHEMBL5028711 0.73 POLB (0.32) POLBALDH1A1L3MBTL1
SCHEMBL5030915 0.70 GPR139 (0.30)
SCHEMBL5030933 0.68
SCHEMBL14285905 0.66 ALDH1A1 (0.39) HTTPOLBALDH1A1MEN1KMT2A

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 HTT 4695/4885POLB 1896/4885HPGD 657/4885

“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.