SCHEMBL4788922

SCHEMBL4788922

O=CCn1ccc(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 10/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
CRBN Q96SW2 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
DDB1 Q16531 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
SCHEMBL4537742 0.82 DUT (0.49) DUTALDH1A1LMNAPKMCRBN
SCHEMBL9891077 0.79 DUT (0.54) DUTALDH1A1LMNAPKMCRBN
SCHEMBL15798508 0.79 DUT (0.54) DUTALDH1A1LMNAPKMCRBN
SCHEMBL12955007 0.79 DUT (0.54) DUTALDH1A1LMNAPKMCRBN
SCHEMBL15798507 0.79 DUT (0.54) DUTALDH1A1LMNAPKMCRBN
SCHEMBL4348697 0.79 L3MBTL1 (0.59) DUTALDH1A1LMNAPKMCRBN
SCHEMBL6102943 0.77 CRBN (0.56) DUTALDH1A1LMNAPKMCRBN
SCHEMBL1923335 0.75 PKM (0.61) DUTALDH1A1LMNAPKMCRBN
SCHEMBL8377765 0.75 PKM (0.51) DUTALDH1A1LMNAPKMCRBN
SCHEMBL4372127 0.75 PKM (0.51) DUTALDH1A1LMNAPKMCRBN

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
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
EP-4688781-A1 METHODS AND REAGENTS FOR SYNTHESIZING HALOALDEHYDES, AND USES THEREOF Simon Fraser University (CA) 2026-02-11 EP disclosed
WO-2024201390-A1 METHODS AND REAGENTS FOR SYNTHESIZING HALOALDEHYDES, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2024-10-03 WO disclosed
US-20230129710-A1 Methods and Reagents for Synthesizing Nucleosides and Analogues Thereof SIMON FRASER UNIVERSITY (CA) 2023-04-27 US disclosed
US-20230129710-A1 Methods and Reagents for Synthesizing Nucleosides and Analogues Thereof SIMON FRASER UNIVERSITY (CA) 2023-04-27 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114746099-A Eukaryotic semisynthetic organisms 斯克利普斯研究所 2022-07-12 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
WO-2021191830-A1 METHODS AND REAGENTS FOR SYNTHESIZING NUCLEOSIDES AND ANALOGUES THEREOF SIMON FRASER UNIVERSITY (CA) 2021-09-30 WO disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-3172211-B1 TRICYCLIC IMIDAZO-PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY LP-PLA2 GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-03 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20230129710-A1 Methods and Reagents for Synthesizing Nucleosides and Analogues Thereof NUDT1, ADAR, APRT DUT 20/4885ALDH1A1 55/4885LMNA 1420/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR DUT 4425/4885ALDH1A1 3412/4885LMNA 4742/4885

“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.