SCHEMBL441330

SCHEMBL441330

O=C(O)CC(=O)c1ccccc1.[CaH2]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
CYP3A4 P08684 2/20 0.76
HPGD P15428 2/20 0.76
MAPK1 P28482 2/20 0.76
MAPT P10636 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
KDM4E B2RXH2 1/20 0.76
ALOX15 P16050 1/20 0.76
CES1 P23141 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
PTPN1 P18031 2/20 0.64
ERCC5 P28715 2/20 0.64
FEN1 P39748 2/20 0.64
NR4A2 P43354 1/20 0.60
ALDH1A1 P00352 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HIF1A Q16665 2/20 0.59
CYP2C19 P33261 2/20 0.59

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
SCHEMBL98540 0.97 KMT2A (0.80) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL5142647 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL27897747 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL28173667 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL28418364 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
Ammonia Solution, Strong SCHEMBL14935544 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL28519781 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL527869 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL5144883 0.95 CYP3A4 (0.76) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL27915275 0.95 KMT2A (0.76) KMT2AMEN1CYP3A4HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065179-A1 PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY YKI, Ytemiska Institutet AB (SE) 2012-03-15 US disclosed
EP-2419398-A1 A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY YKI, Ytkemiska Institutet AB (SE) 2012-02-22 EP disclosed
WO-2010120232-A1 A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY YKI, YTKEMISKA INSTITUTET AB (SE) 2010-10-21 WO 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-20120065179-A1 PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY BCKDK, KHK, CA7 KMT2A 1238/4885MEN1 2158/4885CYP3A4 1094/4885

“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.