SCHEMBL6436498

SCHEMBL6436498

CCc1ccc2[nH]cnc2c1CC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
DPP4 P27487 2/20 0.44
KDM4E B2RXH2 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 2/20 0.38
PARP1 P09874 1/20 0.38
HTR1A P08908 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE2A O00408 2/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 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
SCHEMBL24338045 0.81 ALDH1A1 (0.47) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL17308779 0.80 DPP4 (0.49) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL6976279 0.80 DPP4 (0.46) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL23589102 0.80 ALDH1A1 (0.46) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL15209574 0.80 ALDH1A1 (0.43) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL7031180 0.77 KMT2A (0.42) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL1080823 0.76 PARP1 (0.41) ALDH1A1PKMDPP4KDM4EEGLN1
SCHEMBL763087 0.76 PARP1 (0.50) PARP1HTR1ATAAR1
SCHEMBL12812189 0.71 ALDH1A1 (0.39) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL284635 0.70 HTR1A (0.30) HTR1ATAAR1

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-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
US-3988155-A CYANINE SENSITIZING DYES FUJI PHOTO FILM CO., LTD. (JA) 1976-10-26 US disclosed
US-3985563-A Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-10-12 US 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 ALDH1A1 1425/4885PKM 3418/4885DPP4 3343/4885
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 ALDH1A1 7/4885PKM 1447/4885DPP4 3205/4885

“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.