SCHEMBL5829259

SCHEMBL5829259

O=C(CC(O)c1ccccc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.45
CYP19A1 P11511 1/20 0.45
LMNA P02545 3/20 0.44
BCAT2 O15382 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ELANE P08246 1/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL6371244 0.90 ESR1 (0.41) LMNABCAT2NPC1RAB9AALDH1A1
SCHEMBL4251422 0.85 CYP19A1 (0.51) L3MBTL1ATMCYP19A1LMNAALDH1A1
SCHEMBL27833901 0.82 CYP19A1 (0.49) L3MBTL1ATMCYP19A1LMNAKDM4E
SCHEMBL6310916 0.80 RAB9A (0.45) CYP19A1LMNAKDM4ENPC1RAB9A
SCHEMBL10802776 0.80 POLB (0.47) L3MBTL1ATMCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL9794842 0.80 ALDH1A1 (0.50) L3MBTL1ATMCYP19A1NPC1RAB9A
SCHEMBL3071656 0.80 ATM (0.44) L3MBTL1ATMCYP19A1ALDH1A1ELANE
SCHEMBL9048057 0.80 SCN4A (0.50) L3MBTL1ATMCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL6862384 0.79 KCNA5 (0.51) L3MBTL1LMNABCAT2KDM4ENPC1
SCHEMBL6910158 0.79 KCNA5 (0.51) L3MBTL1LMNABCAT2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070690-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2021-03-11 US disclosed
EP-3466922-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP Chubu University Educational Foundation (JP) 2019-04-10 EP disclosed
US-RE39333-E1 Process for the preparation of 5-hydroxy-3-oxopentanoic acid derivatives KANEKA CORPORATION (JP) 2006-10-10 US disclosed
EP-1104750-B1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORP (JP) 2004-04-14 EP disclosed
US-6340767-B1 REACTION OF LITHIUM AMIDE WITH ACETIC ACID ESTER AND HYDROXY PROPIONIC ACID KANEKA CORPORATION (JP) 2002-01-22 US disclosed
EP-1104750-A1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2001-06-06 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-20210070690-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP EBP, NR1H3, APEH L3MBTL1 4155/4885ATM 2650/4885CYP19A1 18/4885

“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.