SCHEMBL12712457

SCHEMBL12712457

Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)cc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.53
▸ BAG3 O95817 1/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ EP300 Q09472 1/20 0.43
▸ AKR1B1 P15121 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PPARG P37231 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 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
SCHEMBL12712445 0.88 SLC2A1 (0.61) COMTBAG3SLC2A1AKR1B1MEN1
SCHEMBL12712441 0.85 SLC2A1 (0.57) BAG3SLC2A1EP300AKR1B1MEN1
SCHEMBL1615131 0.84 SLC2A1 (0.61) COMTBAG3SLC2A1EP300AKR1B1
SCHEMBL12712449 0.81 MEN1 (0.50) COMTBAG3MEN1KMT2ALMNA
SCHEMBL12712455 0.80 ENPP2 (0.57) MEN1KMT2APPARGALDH1A1USP2
SCHEMBL12712446 0.80 COMT (0.50) COMTBAG3SLC2A1MEN1KMT2A
SCHEMBL12712456 0.78 COMT (0.48) COMTBAG3AKR1B1MEN1KMT2A
SCHEMBL12712453 0.78 COMT (0.48) COMTBAG3AKR1B1MEN1KMT2A
SCHEMBL1614287 0.78 MCL1 (0.47) COMTSLC2A1AKR1B1MEN1KMT2A
SCHEMBL12712444 0.78 AURKA (0.51) COMTBAG3SLC2A1AKR1B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 COMT 4225/4885BAG3 2468/4885SLC2A1 76/4885

“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.

Send feedback