SCHEMBL3827451

SCHEMBL3827451

CCOC(=O)CCCCCC(=O)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.56
PLA2G4A P47712 4/20 0.53
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TNF P01375 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL3065923 0.90 ALDH1A1 (0.47) CES1PLA2G4AALDH1A1PKMTNF
SCHEMBL1668014 0.83 PLA2G4A (0.66) CES1PLA2G4AALDH1A1
SCHEMBL1489443 0.82 ALDH1A1 (0.51) CES1PLA2G4AALDH1A1PKMLMNA
SCHEMBL28862314 0.80 DGKA (0.47) PLA2G4AALDH1A1PKMTDP1HSD17B10
SCHEMBL6643638 0.79 CYP4F2 (0.48) PLA2G4AALDH1A1PKMTDP1HSD17B10
SCHEMBL27477466 0.77 CES1 (0.62) CES1PLA2G4AALDH1A1CYP3A4ALOX15
SCHEMBL1668176 0.76 PLA2G4A (0.58) CES1PLA2G4A
SCHEMBL1668173 0.76 PLA2G4A (0.58) CES1PLA2G4A
SCHEMBL12548618 0.75 PLA2G4A (0.77) CES1PLA2G4APKM
Bromide SCHEMBL6329679 0.75 PLA2G4A (0.56) CES1PLA2G4AALDH1A1PKM

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 CES1 816/4885PLA2G4A 1712/4885ALDH1A1 328/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 CES1 816/4885PLA2G4A 1712/4885ALDH1A1 328/4885

“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.