SCHEMBL7846859

SCHEMBL7846859

O=C(O)CCc1cccc2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
EGLN1 Q9GZT9 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
CHRM1 P11229 1/20 0.41
GPR17 Q13304 2/20 0.40
PKM P14618 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL2820808 0.86 PARP1 (0.56) PARP1EGLN1ADORA2AADORA1PKM
SCHEMBL2500037 0.84 PARP1 (0.53) PARP1EGLN1ADORA2AADORA1PKM
SCHEMBL23122820 0.80 CYP4F2 (0.52) PARP1PKMHTR2AHTR2CCYP2C19
SCHEMBL7856462 0.80 PARP1 (0.47) PARP1ADORA2AADORA1PKMHTR2A
SCHEMBL29907256 0.80 PARP1 (0.47) PARP1ADORA2AADORA1PKMHTR2A
Acetic Acid SCHEMBL2498740 0.80 PARP1 (0.49) PARP1EGLN1ADORA2AADORA1PKM
Trifluoroacetic Acid SCHEMBL2500721 0.80 PARP1 (0.46) PARP1EGLN1ADORA2AADORA1PKM
SCHEMBL5322421 0.79 PARP1 (0.48) PARP1EGLN1ADORA2AADORA1PKM
SCHEMBL556764 0.78 PARP1 (0.51) PARP1ADORA2AADORA1PKMHTR2A
SCHEMBL23124283 0.78 PARP1 (0.45) PARP1ADORA2AADORA1PKMHTR2A

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 14 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-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 203/4885EGLN1 449/4885ADORA2A 1299/4885
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 PARP1 2414/4885EGLN1 2297/4885ADORA2A 4014/4885

“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.