SCHEMBL23925965

SCHEMBL23925965

COC(=O)c1ccc(C)c2c1CC(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.42
CA9 Q16790 12/20 0.42
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
CA2 P00918 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL11985669 0.74 KDM4E (0.41) CA12CA9KDM4EGAAGLA
SCHEMBL19125964 0.74 RXRA (0.42) CA12CA9KDM4EGAAGLA
SCHEMBL9480326 0.73 KDM4E (0.37) CA12CA9KDM4EGAAGLA
SCHEMBL13315457 0.72 KDM4E (0.43) CA12CA9KDM4EGAAGLA
SCHEMBL19621515 0.71 KDM4E (0.49) CA12CA9KDM4EGAAGLA
SCHEMBL19125590 0.68 MAOA (0.42) CA12CA9KDM4EGAAGLA
SCHEMBL8307322 0.68 KDM4E (0.36) CA12CA9KDM4EGAAGLA
SCHEMBL16335823 0.67 SLC6A3 (0.47) CA12CA9KDM4EGAAGLA
SCHEMBL16335302 0.67 SLC6A3 (0.44) CA12CA9KDM4EGAAGLA
SCHEMBL10524277 0.67 KDM4E (0.39) CA12CA9KDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 CA12 1684/4885CA9 1611/4885KDM4E 1082/4885

“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.