SCHEMBL26323649

SCHEMBL26323649

NNC(=O)c1cc2cc(CO)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA2 P00918 4/20 0.56
CA3 P07451 4/20 0.56
CA6 P23280 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
CA5B Q9Y2D0 4/20 0.56
CA4 P22748 3/20 0.56
CA1 P00915 1/20 0.56
CA5A P35218 2/20 0.56
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
FLT3 P36888 2/20 0.50
TP53 P04637 3/20 0.49
LMNA P02545 2/20 0.49
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 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
SCHEMBL6238132 0.79 TAS1R3 (0.68) CA12CA2CA6CA7CA9
SCHEMBL6239408 0.79 HDAC3 (0.60) ALDH1A1KDM4EGAAMAPTFLT3
SCHEMBL29051332 0.79 CHRNA7 (0.55) CA12CA2CA9CA1ALDH1A1
SCHEMBL6240008 0.79 PIM1 (0.70) ALDH1A1KDM4EGAAMAPTFLT3
SCHEMBL5592854 0.79 TP53 (0.69) ALDH1A1KDM4EGAAMAPTFLT3
SCHEMBL1066537 0.76 CA12 (0.71) CA12CA2CA3CA6CA7
SCHEMBL24522315 0.76 TAS1R3 (0.73) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL29362997 0.76 TAS1R3 (0.73) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL6239637 0.74 POLB (0.58) CA12CA2CA9CA1ALDH1A1
SCHEMBL22898909 0.74 RAB9A (0.60) ALDH1A1KDM4EGAAMAPTTP53

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 CA12 4088/4885CA2 2221/4885CA3 4744/4885

“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.