SCHEMBL26323653

SCHEMBL26323653

CCOC(=O)c1cc2c(OC)cc(CO)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
MAOB P27338 1/20 0.45
SLC2A1 P11166 1/20 0.42
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B2 P37059 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
SCHEMBL24313725 0.86 AKR1B1 (0.51) AKR1B1MAOBSLC2A1ALDH1A1KDM4E
SCHEMBL24522290 0.85 AKR1B1 (0.50) AKR1B1MAOBSLC2A1CA2CA12
SCHEMBL28367839 0.84 AKR1B1 (0.49) AKR1B1MAOBSLC2A1ALDH1A1KDM4E
SCHEMBL26323911 0.82 AKR1B1 (0.47) AKR1B1MAOBSLC2A1ALDH1A1KDM4E
SCHEMBL26323655 0.81 GAA (0.43) CA2ALDH1A1KDM4EGAAHPGD
SCHEMBL4105762 0.80 NMT2 (0.54) AKR1B1MAOBCA2CA12CA9
SCHEMBL4768249 0.76 AKR1B1 (0.48) AKR1B1MAOBCA2CA12CA3
SCHEMBL9754548 0.75 AKR1B1 (0.52) AKR1B1MAOBSLC2A1CA2CA12
SCHEMBL18397754 0.74 AKR1B1 (0.63) AKR1B1MAOBSLC2A1ALDH1A1KDM4E
SCHEMBL9754462 0.73 MAOB (0.54) AKR1B1MAOBSLC2A1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293487-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2023-09-21 US 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-20230293487-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES RELA, NFKBIA, IKBKG AKR1B1 1803/4885MAOB 3098/4885SLC2A1 985/4885

“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.