SCHEMBL5101415

SCHEMBL5101415

CCOC(=O)CCC(C(=O)COC1CCCCC1)C(=O)c1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ALOX12 P18054 1/20 0.36

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
SCHEMBL5101593 0.94 CYP1A2 (0.47) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5095524 0.91 ALDH1A1 (0.38) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3822298 0.87 HSD17B10 (0.46) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5101045 0.85 CYP1A2 (0.37) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3827211 0.84 CYP1A2 (0.51) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3828170 0.84 CYP1A2 (0.51) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3824583 0.81 CYP1A2 (0.46) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5093245 0.79 CYP1A2 (0.49) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3827184 0.79 CYP2C19 (0.55) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3821149 0.78 PTGIR (0.38) HSD17B10CYP1A2CYP3A4CYP2C19ALDH1A1

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 8 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
CN-100349895-C Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2007-11-21 CN 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 HSD17B10 2021/4885CYP1A2 367/4885CYP3A4 202/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 HSD17B10 2021/4885CYP1A2 367/4885CYP3A4 202/4885

“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.