SCHEMBL22495331

SCHEMBL22495331

C#CCOCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
RARB P10826 4/20 0.56
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
PLA2G4B P0C869 5/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PLA2G4A P47712 1/20 0.46

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
SCHEMBL16561515 0.85 GAA (0.59) PKMMAPK1ALDH1A1L3MBTL1HTT
SCHEMBL4398919 0.84 PKM (0.56) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL23480311 0.84 L3MBTL1 (0.60) PKMRARBALDH1A1L3MBTL1
SCHEMBL577687 0.84 PKM (0.78) PKMRARBMAPK1TSHRTP53
SCHEMBL13918671 0.84 PKM (0.78) PKMRARBMAPK1TSHRTP53
SCHEMBL20502046 0.84 PKM (0.78) PKMRARBMAPK1TSHRTP53
SCHEMBL4509186 0.84 PKM (0.78) PKMRARBMAPK1TSHRTP53
SCHEMBL196110 0.82 PKM (0.88) PKMRARBMAPK1TSHRTP53
SCHEMBL23480308 0.82 ALDH1A1 (0.43) PKMRARBALDH1A1L3MBTL1HTT
SCHEMBL25375924 0.81 PKM (0.62) PKMRARBMAPK1TSHRTP53

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
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 PKM 3491/4885RARB 3180/4885MAPK1 2532/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 PKM 3636/4885RARB 3274/4885MAPK1 2666/4885

“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.