SCHEMBL3828853

SCHEMBL3828853

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.35
CTSK P43235 2/20 0.34
TDP1 Q9NUW8 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL3823343 0.96 CYP1A2 (0.39) CYP1A2KMT2AGAACTSKTDP1
SCHEMBL3823381 0.90 L3MBTL1 (0.38) CYP1A2KMT2AGAACTSKALDH1A1
SCHEMBL3821623 0.88 CYP1A2 (0.37) CYP1A2KMT2AGAACTSKTDP1
SCHEMBL3823078 0.87 CYP1A2 (0.36) CYP1A2KMT2AGAACTSKTDP1
SCHEMBL11512164 0.86 CYP1A2 (0.44) CYP1A2KMT2AGAACTSKTDP1
SCHEMBL547873 0.86 CYP1A2 (0.44) CYP1A2KMT2AGAACTSKTDP1
SCHEMBL3822806 0.85 CYP1A2 (0.35) CYP1A2KMT2AGAACTSKTDP1
SCHEMBL3826951 0.84 CYP1A2 (0.43) CYP1A2KMT2AGAATDP1CYP3A4
SCHEMBL5094515 0.84 CYP1A2 (0.38) CYP1A2KMT2AGAACTSKTDP1
SCHEMBL3822316 0.83 CYP1A2 (0.42) CYP1A2KMT2AGAACTSKTDP1

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 9 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
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 367/4885KMT2A 3174/4885GAA 829/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 CYP1A2 367/4885KMT2A 3174/4885GAA 829/4885

“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.