SCHEMBL3821994

SCHEMBL3821994

CC(C)(C)OC(=O)CC(=O)COCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
CACNA1B Q00975 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NAAA Q02083 1/20 0.33
EPHX2 P34913 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 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
SCHEMBL3828869 0.92 PTGIR (0.35) EPHX1KMT2ACTSSCTSKALDH1A1
SCHEMBL26999335 0.89 LMNA (0.39) EPHX1CACNA1BMEN1MAPTKMT2A
SCHEMBL20129230 0.85 LMNA (0.35) EPHX1CACNA1BMEN1MAPTKMT2A
SCHEMBL5092964 0.78 EPHX1 (0.42) EPHX1CACNA1BMEN1MAPTKMT2A
SCHEMBL17475891 0.78 LMNA (0.42) EPHX1CACNA1BMEN1MAPTKMT2A
SCHEMBL1142985 0.78 LMNA (0.38) EPHX1MEN1MAPTKMT2AATM
SCHEMBL6133282 0.77 LMNA (0.47) EPHX1LMNANAAASPHK1SLC1A3
SCHEMBL2375379 0.76 NR1H2 (0.43) KMT2ACTSSCTSK
SCHEMBL20335266 0.76 NR1H2 (0.43) KMT2ACTSSCTSK
SCHEMBL2375376 0.76 NR1H2 (0.43) KMT2ACTSSCTSK

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 EPHX1 997/4885CACNA1B 1520/4885MEN1 3215/4885

“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.