SCHEMBL21333429

SCHEMBL21333429

CCO/C=C(\C(=O)CC)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
GLO1 Q04760 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL11655352 1.00 ALDH1A1 (0.32) ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1
SCHEMBL11655353 1.00 ALDH1A1 (0.32) ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1
SCHEMBL2335326 0.87 NPSR1 (0.35) ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1
SCHEMBL11659065 0.85 SOAT1 (0.35) ALDH1A1NPSR1GLO1
SCHEMBL11654683 0.85 CES2 (0.39) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11654680 0.85 CES2 (0.39) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL18936313 0.85 ALDH1A1 (0.30) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL18936312 0.85 ALDH1A1 (0.30) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1549869 0.85 ALDH1A1 (0.30) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL5186529 0.85 ALDH1A1 (0.30) ALDH1A1CYP2D6SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762377-B1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF UNIV CORNELL (US) 2025-08-20 EP disclosed
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof CORNELL UNIVERSITY (US) 2024-04-23 US disclosed
EP-3762377-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF Cook, Timothy, H. (US) 2021-01-13 EP disclosed
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 US disclosed
WO-2019173790-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF HLA TIMOTHY (US) 2019-09-12 WO disclosed
CN-107759585-A A kind of isoquinoline compound and its Pharmaceutical composition and the application as antiviral drugs 银杏树药业(苏州)有限公司 2018-03-06 CN 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-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 ALDH1A1 421/4885CYP2D6 154/4885SMN1; SMN2 3979/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 ALDH1A1 421/4885CYP2D6 154/4885SMN1; SMN2 3979/4885

“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.