SCHEMBL27007170

SCHEMBL27007170

O=C(O)CCC(=O)C(=O)OCC#CC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MMP2 P08253 1/20 0.34
MMP12 P39900 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL27007158 0.82 NPSR1 (0.38) NPSR1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL27007148 0.79 NR4A2 (0.46) NR4A2NPSR1ALDH1A1RAB9AKMT2A
SCHEMBL27007181 0.75 CHRNB2 (0.42) NPSR1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL27007162 0.75 ESR1 (0.35) NR4A2NPSR1ALDH1A1RAB9AKMT2A
SCHEMBL27007179 0.74 NR4A2 (0.34) NR4A2ALDH1A1RAB9AKMT2AMMP2
SCHEMBL27007192 0.73
SCHEMBL27007344 0.73 L3MBTL1 (0.40) ALDH1A1KMT2ANPC1HTTL3MBTL1
SCHEMBL27007191 0.71 EGLN1 (0.35) LMNA
SCHEMBL7396286 0.71 NPSR1 (0.48) NPSR1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL7398659 0.70 NPSR1 (0.47) NPSR1ALDH1A1RAB9AKMT2ANPC1

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 8 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
US-20240299593-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS NVISION IMAGING TECHNOLOGIES GMBH (DE) 2024-09-12 US disclosed
CN-118103077-A System and method for producing hyperpolarized material 预视成像科技有限责任公司 2024-05-28 CN disclosed
EP-4313174-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVision Imaging Technologies GmbH (DE) 2024-02-07 EP disclosed
CN-117529341-A System and method for producing hyperpolarized material 预视成像科技有限责任公司 2024-02-06 CN 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 (4 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-20240299593-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS GLS2, HNMT, FH NR4A2 4032/4885NPSR1 719/4885ALDH1A1 2576/4885
US-12110270-B2 Systems and methods for generation of hyperpolarized materials GLS2, HNMT, FH NR4A2 4032/4885NPSR1 719/4885ALDH1A1 2576/4885
US-20240018087-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS GLS2, HNMT, FH NR4A2 4032/4885NPSR1 719/4885ALDH1A1 2576/4885
US-20250091980-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS GLS2, HNMT, FH NR4A2 4032/4885NPSR1 719/4885ALDH1A1 2576/4885

“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.