SCHEMBL5094705

SCHEMBL5094705

CCOC(=O)CCC(C(=O)COCC(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CTSK P43235 1/20 0.32
APP P05067 1/20 0.31

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
SCHEMBL3823859 0.92 CYP1A2 (0.36) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL3822806 0.91 CYP1A2 (0.35) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL3823381 0.83 L3MBTL1 (0.38) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL3827376 0.83 L3MBTL1 (0.34) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL3821532 0.82 L3MBTL1 (0.37) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL3826269 0.81 L3MBTL1 (0.33) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL5101234 0.81 POLB (0.40) L3MBTL1POLB
SCHEMBL3822777 0.78 LMNA (0.37) L3MBTL1KMT2ACTSK
SCHEMBL3825539 0.77 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL3823343 0.76 CYP1A2 (0.39) L3MBTL1KMT2APOLBCYP1A2CYP2C9

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 6 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
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 US 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 (2 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 L3MBTL1 4810/4885KMT2A 3174/4885POLB 759/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 L3MBTL1 4810/4885KMT2A 3174/4885POLB 759/4885

“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.