SCHEMBL3828869

SCHEMBL3828869

CC(C)(C)OC(=O)CC(=O)COCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.35
EPHX1 P07099 1/20 0.34
NR1H2 P55055 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ATF4 P18848 1/20 0.32
PTGDR Q13258 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
SCHEMBL3821994 0.92 EPHX1 (0.40) EPHX1CTSSCTSKKMT2AEPHX2
SCHEMBL2375379 0.83 NR1H2 (0.43) PTGIRNR1H2CTSSCTSKKMT2A
SCHEMBL2375376 0.83 NR1H2 (0.43) PTGIRNR1H2CTSSCTSKKMT2A
SCHEMBL20335266 0.83 NR1H2 (0.43) PTGIRNR1H2CTSSCTSKKMT2A
SCHEMBL20129230 0.83 LMNA (0.35) EPHX1NR1H2CTSSCTSKKMT2A
SCHEMBL26999335 0.83 LMNA (0.39) EPHX1CTSSCTSKKMT2AALDH1A1
SCHEMBL6525510 0.82 PLG (0.38) PTGIRNR1H2CTSSCTSKCHRM2
SCHEMBL6523531 0.82 PLG (0.38) PTGIRNR1H2CTSSCTSKCHRM2
SCHEMBL6526978 0.80 KMT2A (0.45) PTGIREPHX1KMT2A
SCHEMBL31149780 0.79 EPHX1 (0.37) EPHX1NR1H2CTSSCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581535-B3 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-09-02 EP disclosed
EP-1581535-B9 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-03-19 EP disclosed
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
EP-1581535-B1 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-10-24 EP 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
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 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-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 PTGIR 44/4885EPHX1 997/4885NR1H2 3087/4885

“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.