SCHEMBL3821532

SCHEMBL3821532

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
CTSK P43235 2/20 0.33
APP P05067 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPA1 O75762 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
SCHEMBL5094515 0.92 CYP1A2 (0.38) L3MBTL1ALDH1A1LMNAHSD17B10KMT2A
SCHEMBL3821623 0.91 CYP1A2 (0.37) L3MBTL1ALDH1A1LMNAHSD17B10KMT2A
SCHEMBL3823381 0.87 L3MBTL1 (0.38) L3MBTL1ALDH1A1KMT2APOLBCYP1A2
SCHEMBL3825539 0.83 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAHSD17B10KMT2A
SCHEMBL5094705 0.82 L3MBTL1 (0.35) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL3827376 0.81 L3MBTL1 (0.34) L3MBTL1ALDH1A1KMT2APOLBCYP1A2
SCHEMBL3826269 0.79 L3MBTL1 (0.33) L3MBTL1ALDH1A1KMT2APOLBCYP1A2
SCHEMBL3823343 0.79 CYP1A2 (0.39) L3MBTL1ALDH1A1HSD17B10KMT2APOLB
SCHEMBL5094648 0.78 F7 (0.33) L3MBTL1ALDH1A1HSD17B10KMT2APOLB
SCHEMBL3828853 0.78 CYP1A2 (0.38) L3MBTL1ALDH1A1HSD17B10KMT2APOLB

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 11 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-2094238-A2 IMPROVEMENTS IN OR RELATING TO AMPHOTERIC LIPOSOMES Novosom AG (DE) 2009-09-02 EP disclosed
WO-2008043575-A2 IMPROVEMENTS IN OR RELATING TO AMPHOTERIC LIPOSOMES NOVOSOM AG (DE) 2008-04-17 WO 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
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 4810/4885ALDH1A1 328/4885LMNA 3732/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 L3MBTL1 4810/4885ALDH1A1 328/4885LMNA 3732/4885

“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.