SCHEMBL29940587

SCHEMBL29940587

CC(=O)OCC#CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL30863693 0.82
SCHEMBL29154673 0.82
SCHEMBL487316 0.82 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL10813466 0.76 ALOX15 (0.39) LMNACHRM5CHRM1CHRM3CHRM2
SCHEMBL2586277 0.76 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL30863691 0.76 TP53 (0.35)
SCHEMBL6383645 0.75
SCHEMBL577216 0.75
SCHEMBL3787585 0.74 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CHRM5CHRM1
Benzene SCHEMBL28697969 0.74 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091980-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS NVISION IMAGING TECHNOLOGIES GMBH (DE) 2025-03-20 US disclosed
US-12110270-B2 Systems and methods for generation of hyperpolarized materials NVISION IMAGING TECHNOLOGIES GMBH (DE) 2024-10-08 US disclosed
EP-4313174-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVision Imaging Technologies GmbH (DE) 2024-02-07 EP disclosed
US-20240018087-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS NVISION IMAGING TECHNOLOGIES GMBH (DE) 2024-01-18 US disclosed
WO-2022200859-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVision Imaging Technolgies GmbH (DE) 2022-09-29 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 (3 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-12110270-B2 Systems and methods for generation of hyperpolarized materials GLS2, HNMT, FH ALDH1A1 2576/4885LMNA 806/4885HSD17B10 1928/4885
US-20240018087-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS GLS2, HNMT, FH ALDH1A1 2576/4885LMNA 806/4885HSD17B10 1928/4885
US-20250091980-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS GLS2, HNMT, FH ALDH1A1 2576/4885LMNA 806/4885HSD17B10 1928/4885

“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.