SCHEMBL5095608

SCHEMBL5095608

CCOC(=O)CC(C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 4/20 0.36
TRPA1 O75762 1/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL3410049 0.91 GAA (0.43) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL8513088 0.86 HDAC3 (0.40) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL3825539 0.83 L3MBTL1 (0.41) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL460011 0.83 MGAM (0.46) CYP1A2MGAMGAASIMGAM2
SCHEMBL1194353 0.82 GAA (0.50) CYP1A2HTTMGAMGAASI
SCHEMBL24834160 0.81 ALDH1A1 (0.36) GAAALDH1A1LMNATDP1HDAC3
SCHEMBL3823229 0.80 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL17425051 0.80 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL12877143 0.79 GAA (0.48) CYP1A2MGAMGAASIMGAM2
SCHEMBL3822316 0.79 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HTTGAA

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 CYP1A2 367/4885CYP2C9 1113/4885CYP2C19 867/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 CYP1A2 367/4885CYP2C9 1113/4885CYP2C19 867/4885

“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.