SCHEMBL2497543

SCHEMBL2497543

O=C(O)CCc1cccc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
PTGER1 P34995 3/20 0.41
PTGER4 P35408 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
CHRM1 P11229 1/20 0.41
PARP2 Q9UGN5 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.38
KEAP1 Q14145 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL30037833 1.00 PARP1 (0.46) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL2500031 0.84 GRIN2D (0.47) PARP1MAPTCTNNB1WNT3ASMN1; SMN2
SCHEMBL2496167 0.82 CYP4F2 (0.33) PARP1MAPTCTNNB1WNT3ACYP4F2
SCHEMBL7856465 0.80 JAK2 (0.36) PARP1MAPTHTTSMN1; SMN2
Acetic Acid SCHEMBL2498732 0.80 GRIN2D (0.44) PARP1MAPTCTNNB1WNT3AL3MBTL1
Trifluoroacetic Acid SCHEMBL2500718 0.80 GRIN2D (0.41) PARP1MAPTL3MBTL1
SCHEMBL5322426 0.79 GRM2 (0.42) MAPT
SCHEMBL28278903 0.77 DAO (0.40) PARP1ADORA3HTTSMN1; SMN2
SCHEMBL3068246 0.77 TAAR1 (0.41) PARP1MAPTSMN1; SMN2
SCHEMBL7346990 0.76 PARP1 (0.43) PARP1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-05-30 US disclosed
EP-4347544-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES Dow Technology Investments LLC (US) 2024-04-10 EP disclosed
CN-117242047-A Process for the vapor phase hydrogenation of aldehydes 陶氏技术投资有限责任公司 2023-12-15 CN disclosed
WO-2022250790-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES DOW TECHNOLOGY INVESTMENTS LLC (US) 2022-12-01 WO disclosed
EP-2970074-B1 HYDROFORMYLATION PROVESS USING A HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT DOW TECHNOLOGY INVESTMENTS LLC (US) 2019-04-24 EP disclosed
CN-104045532-B Hydroformylation process 陶氏技术投资有限责任公司 2018-05-25 CN disclosed
US-9573870-B2 Hetereocyclic agent as catalytic stabilizing agent in a hydroformylation process DOW TECHNOLOGY INVESTMENTS LLC (US) 2017-02-21 US disclosed
EP-2970074-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS Dow Technology Investments LLC (US) 2016-01-20 EP disclosed
US-20150376101-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2015-12-31 US disclosed
WO-2014149915-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS DOW TECHNOLOGY INVESTMENTS LLC (US) 2014-09-25 WO disclosed
EP-2373628-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-10-12 EP disclosed
WO-2010070021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 WO disclosed
EP-0873292-B1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEM PLASTIC (US) 2001-12-19 EP disclosed
EP-0873292-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-10-28 EP disclosed
US-5731472-A HETEROCYCLIC NITROGEN COMPOUNDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-03-24 US disclosed
WO-1997020798-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 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-20150376101-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS NUDT1, CAT, HRAS PARP1 203/4885PTGER1 4665/4885PTGER4 4128/4885
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 PARP1 2414/4885PTGER1 4441/4885PTGER4 4158/4885

“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.