SCHEMBL4454619

SCHEMBL4454619

COC(C)C(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 1/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL21294536 0.80 LDHA (0.38) ALDH1A1TDP1TSHRSMN1; SMN2EGLN1
SCHEMBL262554 0.80 LDHA (0.38) ALDH1A1TDP1TSHRSMN1; SMN2EGLN1
SCHEMBL16624283 0.80 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3233649 0.80 TSHR (0.32) ALDH1A1TSHRSMN1; SMN2
SCHEMBL29116745 0.78 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8838659 0.77 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4454621 0.76 TDP1 (0.39) TDP1
SCHEMBL9465458 0.75 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12201126 0.75 MGAM (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4455383 0.75

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-20140147687-A1 BIOLOGICALLY ABSORBABLE COATING FOR IMPLANTABLE DEVICES BASED ON COPOLYMERS HAVING ESTER BONDS AND METHODS OF FABRICATING THE SAME ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2014-05-29 US disclosed
US-7595414-B2 complex capable of being used for chemical vapor deposition of thin metal , or metal oxide films UBE INDUSTRIES, LTD. (JP) 2009-09-29 US disclosed
US-20080254216-A1 Metal Complex Compound Comprising B-Diketonato Ligand UBE INDUSTRIES, LTD. (JP) 2008-10-16 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-20080254216-A1 Metal Complex Compound Comprising B-Diketonato Ligand CAD, APOB, DBI MGAM 819/4885GAA 2307/4885SI 1861/4885

“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.