SCHEMBL12712434

SCHEMBL12712434

Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAG3 O95817 1/20 0.51
▸ HPGD P15428 4/20 0.48
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ RECQL P46063 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLC2A1 P11166 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B3 P37058 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12712440 1.00 BAG3 (0.51) BAG3HPGDMEN1KMT2AALDH1A1
SCHEMBL12712456 0.87 COMT (0.48) BAG3HPGDMEN1KMT2AALDH1A1
SCHEMBL12712453 0.87 COMT (0.48) BAG3HPGDMEN1KMT2AALDH1A1
SCHEMBL2172642 0.87 HSD17B3 (0.60) BAG3HPGDMEN1KMT2ALMNA
SCHEMBL2172638 0.87 HSD17B3 (0.60) BAG3HPGDMEN1KMT2ALMNA
SCHEMBL1614725 0.84 SLC2A1 (0.63) BAG3HPGDMEN1KMT2AALDH1A1
SCHEMBL2171569 0.84 SLC2A1 (0.63) BAG3HPGDMEN1KMT2AALDH1A1
SCHEMBL2171564 0.84 SLC2A1 (0.63) BAG3HPGDMEN1KMT2AALDH1A1
SCHEMBL1614684 0.84 SLC2A1 (0.63) BAG3HPGDMEN1KMT2AALDH1A1
SCHEMBL12712426 0.80 AURKA (0.55) BAG3MEN1KMT2AALDH1A1MAPT

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 BAG3 2468/4885HPGD 291/4885MEN1 4141/4885

“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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