SCHEMBL128759

SCHEMBL128759

CCCOC(=O)CC(=O)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.45
PLA2G4B P0C869 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.44
CSNK1D P48730 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
TOP2A P11388 1/20 0.41

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
SCHEMBL6567425 0.92 L3MBTL1 (0.55) NPC1LMNAPLA2G4BSMN1; SMN2ALDH1A1
SCHEMBL53331 0.88 PPID (0.49) NPC1LMNASMN1; SMN2GAAALDH1A1
SCHEMBL16672447 0.88 LMNA (0.50) NPC1LMNAPLA2G4BSMN1; SMN2GAA
SCHEMBL11525397 0.86 ALDH1A1 (0.58) NPC1LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2042795 0.85 PPID (0.47) NPC1LMNASMN1; SMN2GAAALDH1A1
SCHEMBL127562 0.85 PLA2G4B (0.47) LMNAPLA2G4BGAAALDH1A1MAPT
SCHEMBL126148 0.83 NPC1 (0.55) NPC1LMNASMN1; SMN2ALDH1A1CSNK1D
SCHEMBL6702666 0.81 TSHR (0.56) NPC1LMNASMN1; SMN2ALDH1A1CSNK1D
SCHEMBL16672928 0.80 TDP1 (0.54) LMNASMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL18601228 0.80 NPC1 (0.52) NPC1LMNASMN1; SMN2ALDH1A1CSNK1D

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019002407-A1 PROCESS FOR THE PREPARATION OF TIPIRACIL HYDROCHLORIDE AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2019-01-03 WO disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
CN-101374844-B Pyrrolopyridazinone compound UBE INDUSTRIES 2012-10-24 CN disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 EP disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 EP disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 US disclosed
US-20030105341-A1 Process for producing optically active gamma-butyrolactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-06-05 US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 EP 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-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 NPC1 4560/4885LMNA 3152/4885PLA2G4B 3199/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 NPC1 1907/4885LMNA 1679/4885PLA2G4B 1252/4885

“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.