SCHEMBL31711209

SCHEMBL31711209

Cc1ccc2c(c1)C(CCC(=O)O)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.49
TSHR P16473 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.42
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL30637106 0.83 APEX1 (0.49) APEX1TSHRKDM4EATMMAOB
SCHEMBL30637114 0.83 APEX1 (0.49) APEX1TSHRKDM4EATMMAOB
SCHEMBL26679404 0.82 KDM4E (0.55) APEX1TSHRKDM4EATMMEN1
SCHEMBL16218987 0.80 APEX1 (0.44) APEX1TSHRKDM4EATMMAOB
SCHEMBL19302753 0.80 KDM4E (0.55) APEX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL30637088 0.78 APEX1 (0.54) APEX1TSHRKDM4EATMMAOB
SCHEMBL26679499 0.78 APEX1 (0.54) APEX1TSHRKDM4EATMMAOB
SCHEMBL5094363 0.78 MAOB (0.50) MAOB
SCHEMBL31711021 0.77 APEX1 (0.43) APEX1TSHRKDM4EMAOBKMT2A
SCHEMBL26863271 0.76 APEX1 (0.51) APEX1TSHRKDM4EATMHTT

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-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS SCRIPPS RESEARCH INST (US) 2025-10-23 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-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS DNPH1, NISCH, PTMA APEX1 2689/4885TSHR 4726/4885KDM4E 1635/4885

“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.