SCHEMBL3225947

SCHEMBL3225947

COC(=O)C(=O)c1oc2ccc(OCc3ccc(F)cc3)cc2c1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
ANO1 Q5XXA6 4/20 0.54
MAOB P27338 7/20 0.48
MAOA P21397 4/20 0.48
ACHE P22303 2/20 0.47
PTPN7 P35236 1/20 0.45
SLC26A4 O43511 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
SLC16A3 O15427 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL3221505 0.88 LMNA (0.60) LMNAHTTANO1MAOBMAOA
SCHEMBL3220428 0.84 NQO1 (0.40) LMNAHTTANO1KMT2A
SCHEMBL751538 0.80 LMNA (0.62) LMNAHTTANO1MAOBMAOA
SCHEMBL3224774 0.78 EDNRA (0.53) LMNAMAOBMAOAACHEKMT2A
SCHEMBL9434162 0.77 CASP3 (0.58) LMNAHTTANO1MAOBMAOA
SCHEMBL756334 0.76 HTT (0.57) LMNAHTTANO1MAOBMAOA
SCHEMBL12207267 0.75 LMNA (0.68) LMNAHTTANO1MAOBMAOA
SCHEMBL24470810 0.73 LMNA (1.00) LMNAHTTANO1SLC26A4KMT2A
SCHEMBL29712989 0.73 LMNA (1.00) LMNAHTTANO1SLC26A4KMT2A
SCHEMBL3220870 0.69 NQO1 (0.44) LMNAHTTANO1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068695-A1 Inhibitor for enzyme having two divalent metal ions as active center KIYAMA RYUICHI 2010-03-18 US disclosed
US-20100068695-A1 Inhibitor for enzyme having two divalent metal ions as active center KIYAMA RYUICHI 2010-03-18 US disclosed
US-20100068695-A1 Inhibitor for enzyme having two divalent metal ions as active center KIYAMA RYUICHI 2010-03-18 US disclosed
US-20040039060-A1 Inhibitor for enzyme having two divalent metal ions as active centers SHIONOGI & CO., LTD. (JP) 2004-02-26 US disclosed
EP-1297834-A1 INHIBITOR FOR ENZYME HAVING TWO DIVALENT METAL IONS AS ACTIVE CENTERS SHIONOGI & CO., LTD. (JP) 2003-04-02 EP 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-20040039060-A1 Inhibitor for enzyme having two divalent metal ions as active centers GAA, CMA1, MMEL1 LMNA 4365/4885HTT 4414/4885ANO1 2682/4885

“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.