SCHEMBL3828967

SCHEMBL3828967

CCOC(=O)CCCCCC(C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
DGKA P23743 1/20 0.38
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
CTSK P43235 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
PAM P19021 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL5094619 1.00 KMT2A (0.41) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL11614930 1.00 KMT2A (0.41) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL3822316 0.98 CYP1A2 (0.42) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL3823229 0.94 CYP1A2 (0.43) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL11512164 0.92 CYP1A2 (0.44) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL547873 0.92 CYP1A2 (0.44) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL3825539 0.88 L3MBTL1 (0.41) KMT2ACYP1A2GAAALDH1A1HSD17B10
SCHEMBL4800391 0.86 KMT2A (0.50) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL11614940 0.86 KMT2A (0.50) KMT2ACYP1A2GAAALDH1A1TDP1
SCHEMBL3819477 0.86 CYP1A2 (0.50) KMT2ACYP1A2GAAALDH1A1TDP1

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-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
CN-100349895-C Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2007-11-21 CN 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
CN-1759117-A Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2006-04-12 CN 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 KMT2A 3174/4885CYP1A2 367/4885GAA 829/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KMT2A 3174/4885CYP1A2 367/4885GAA 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.