SCHEMBL26803752

SCHEMBL26803752

CCc1ccc(C(N)=O)c(C(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
PARP1 P09874 1/20 0.42
HSD17B1 P14061 1/20 0.41
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
TRPA1 O75762 1/20 0.39
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
METAP2 P50579 1/20 0.37
PLAU P00749 2/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL26803751 0.93 IKBKB (0.42) IKBKBPARP1HSD17B1MAP2K2MAP2K1
SCHEMBL21900873 0.88 HSD17B1 (0.46) HSD17B1TRPA1ALDH1A1MAPTTSHR
SCHEMBL11243107 0.85 ALDH1A1 (0.47) IKBKBPARP1MAP2K2MAP2K1ALDH1A1
SCHEMBL28499997 0.83 ALDH1A1 (0.48) HSD17B1TRPA1ALDH1A1MAPTKDM4E
SCHEMBL10818516 0.82 IKBKB (0.45) IKBKBPARP1MAP2K2MAP2K1TRPA1
SCHEMBL11243095 0.81 ALDH1A1 (0.47) IKBKBPARP1MAP2K2MAP2K1ALDH1A1
SCHEMBL23960204 0.79 MKNK1 (0.44) IKBKBPARP1MAP2K2MAP2K1TRPA1
SCHEMBL8830144 0.79 ALDH1A1 (0.42) HSD17B1TRPA1ALDH1A1MAPTKDM4E
SCHEMBL20670595 0.79 ALDH1A1 (0.54) HSD17B1TRPA1ALDH1A1MAPTKDM4E
SCHEMBL14072398 0.79 TRPA1 (0.55) IKBKBPARP1MAP2K2MAP2K1TRPA1

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-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 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-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A IKBKB 3765/4885PARP1 232/4885HSD17B1 3382/4885

“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.