SCHEMBL5092964

SCHEMBL5092964

CC(C)(C)OC(=O)CC(=O)COC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
GAA P10253 1/20 0.37
EPHX2 P34913 3/20 0.34
NAAA Q02083 1/20 0.34
CACNA1B Q00975 3/20 0.34
HTT P42858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 1/20 0.32
BTK Q06187 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1118814 0.90 EPHX1 (0.40) EPHX1GAAEPHX2NAAACACNA1B
SCHEMBL27436810 0.88 EPHX1 (0.37) EPHX1GAAEPHX2NAAACACNA1B
SCHEMBL20722022 0.84 BTK (0.36) EPHX1GAANAAACACNA1BHTT
SCHEMBL5672230 0.83 EPHX2 (0.42) EPHX1GAAEPHX2NAAAHTT
SCHEMBL7900018 0.81 EPHX2 (0.40) EPHX1GAAEPHX2NAAAHTT
SCHEMBL31495268 0.81 CYP11B1 (0.36) EPHX1EPHX2HTTMEN1KMT2A
SCHEMBL25143238 0.79 GAA (0.36) EPHX1GAAEPHX2NAAACACNA1B
SCHEMBL4779353 0.79 MGAM (0.45) EPHX1GAANAAAMEN1MAPT
SCHEMBL6110390 0.79 MGAM (0.45) EPHX1GAANAAAMEN1MAPT
SCHEMBL3821994 0.78 EPHX1 (0.40) EPHX1GAAEPHX2NAAACACNA1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US 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-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 EPHX1 997/4885GAA 829/4885EPHX2 2156/4885

“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.