SCHEMBL5033155

SCHEMBL5033155

Cc1ccc(Cc2c(C)n(C(C)C)[nH]c2=O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
HSP90B1 P14625 3/20 0.34
TRAP1 Q12931 3/20 0.34
HSP90AA1 P07900 2/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HIF1A Q16665 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
OPRM1 P35372 1/20 0.31
P2RX7 Q99572 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL5028719 0.84 LMNA (0.36) KDM4CGAAP2RX7POLBLMNA
SCHEMBL5033114 0.83 HSD17B10 (0.36) ALDH1A1KDM4EHSD17B10P2RX7POLB
SCHEMBL5030980 0.80 ALDH1A1 (0.33) ALDH1A1P2RX7
SCHEMBL14626455 0.73 GPR139 (0.32) ALDH1A1LMNA
SCHEMBL14285909 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4593415 0.72 DAO (0.38) KDM4CHSP90B1TRAP1HSP90AA1GAA
SCHEMBL5031785 0.71 P2RX3 (0.38) ALDH1A1P2RX7LMNA
SCHEMBL13932536 0.69 AMY1A (0.42) KDM4CHSP90B1TRAP1HSP90AA1P2RX7
SCHEMBL5030915 0.69 GPR139 (0.30)
SCHEMBL2378250 0.67 MAPT (0.52) KDM4CGAAALDH1A1HIF1APOLB

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 KDM4C 470/4885HSP90B1 3226/4885TRAP1 4650/4885

“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.