SCHEMBL26414339

SCHEMBL26414339

COC(=O)Cc1ccc[n+](Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
SLC7A5 Q01650 1/20 0.43
TSHR P16473 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MAPK1 P28482 2/20 0.41
FFAR1 O14842 1/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
Formic Acid SCHEMBL26087463 0.93 NPSR1 (0.47) L3MBTL1NPSR1LMNAALDH1A1KDM4E
SCHEMBL28949219 0.85 L3MBTL1 (0.43) L3MBTL1NPSR1ALDH1A1KDM4EHPGD
SCHEMBL23351211 0.83 PKM (0.40) L3MBTL1NPSR1LMNAALDH1A1KDM4E
SCHEMBL26497835 0.83 CYP4F2 (0.53) LMNAALDH1A1KDM4EPKMHPGD
Hydrochloric Acid SCHEMBL17907273 0.81 LMNA (0.59) L3MBTL1NPSR1LMNAALDH1A1KDM4E
SCHEMBL11509120 0.81 L3MBTL1 (0.58) L3MBTL1NPSR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL11510418 0.81 NPSR1 (0.58) L3MBTL1NPSR1LMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL29902133 0.81 LMNA (0.59) L3MBTL1NPSR1LMNAALDH1A1KDM4E
SCHEMBL29080191 0.79 PKM (0.47) L3MBTL1NPSR1LMNAALDH1A1PKM
SCHEMBL26087979 0.79 NPSR1 (0.56) L3MBTL1NPSR1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127289-A1 BENZYLPYRIDINIUM REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS GMBH (DE) 2023-04-27 US disclosed
CN-115667220-A Benzyl pyridinium reagent for mass spectrum 豪夫迈·罗氏有限公司 2023-01-31 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 (1 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-20230127289-A1 BENZYLPYRIDINIUM REAGENT FOR MASS SPECTROMETRY SRMS, PTMS, BRD4 L3MBTL1 1054/4885NPSR1 2660/4885LMNA 1187/4885

“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.