SCHEMBL5035227

SCHEMBL5035227

COc1ccc(Cc2c(C)n(C(C)C)[nH]c2=O)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GNRHR P30968 8/20 0.32
ALDH1A1 P00352 1/20 0.31
DAO P14920 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL5030980 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5033155 0.76 KDM4C (0.38) KMT2AALDH1A1
SCHEMBL5033114 0.75 HSD17B10 (0.36) MEN1KMT2AALDH1A1
SCHEMBL14626446 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL14285902 0.74 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL4593543 0.74 GAA (0.37) KMT2AALDH1A1DAOPSEN1PSEN2
SCHEMBL5028719 0.74 LMNA (0.36)
SCHEMBL5031785 0.73 P2RX3 (0.38) ALDH1A1
SCHEMBL5030916 0.72 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL5028718 0.71 P2RX3 (0.43)

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 MEN1 1357/4885KMT2A 2538/4885GNRHR 2346/4885

“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.