SCHEMBL12712453

SCHEMBL12712453

Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)cc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.48
▸ HPGD P15428 3/20 0.44
▸ BAG3 O95817 1/20 0.43
▸ CGAS Q8N884 1/20 0.41
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 2/20 0.38
▸ AKR1B1 P15121 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL12712456 1.00 COMT (0.48) COMTHPGDBAG3CGASMEN1
SCHEMBL12712434 0.87 BAG3 (0.51) HPGDBAG3MEN1KMT2AMAPT
SCHEMBL12712440 0.87 BAG3 (0.51) HPGDBAG3MEN1KMT2AMAPT
SCHEMBL1614013 0.84 SLC2A1 (0.48) COMTHPGDBAG3CGASAKR1B1
SCHEMBL1614016 0.84 SLC2A1 (0.48) COMTHPGDBAG3CGASAKR1B1
SCHEMBL12712444 0.80 AURKA (0.51) COMTBAG3MEN1KMT2AMAPT
SCHEMBL1614983 0.79 HPGD (0.46) COMTHPGDCGASKMT2AALDH1A1
SCHEMBL1615006 0.79 HPGD (0.46) COMTHPGDCGASKMT2AALDH1A1
SCHEMBL12712457 0.78 COMT (0.53) COMTBAG3MEN1KMT2AMAPT
SCHEMBL2172642 0.78 HSD17B3 (0.60) HPGDBAG3CGASMEN1KMT2A

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 4225/4885HPGD 291/4885BAG3 2468/4885

“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.

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