SCHEMBL904528

SCHEMBL904528

CCC(O)CC(=O)OC(CC)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
LMNA P02545 5/20 0.41
MAPK1 P28482 4/20 0.41
MAPT P10636 4/20 0.41
GMNN O75496 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
GLA P06280 1/20 0.40
PMP22 Q01453 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 4/20 0.36

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
SCHEMBL27742463 0.87 CYP1A2 (0.42) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL28422012 0.87 GPR84 (0.44) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL15445475 0.85 CYP1A2 (0.41) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL15945368 0.85 CYP1A2 (0.41) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL28427449 0.84 GPR84 (0.54) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL28415473 0.83 GPR84 (0.62) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL18485858 0.82 MMP1 (0.50) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL28420916 0.82 GPR84 (0.65) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL28415643 0.82 GPR84 (0.65) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL28891565 0.82 GPR84 (0.65) CYP1A2LMNAMAPK1MAPTGMNN

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
WO-2011133436-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2011-10-27 WO claimed
US-20110027336-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-02-03 US claimed
WO-2011160102-A2 SYSTEM AND METHOD FOR DETERMINING STRUCTURAL CHARACTERISTICS OF AN OBJECT PERIMETRICS, LLC (US) 2011-12-22 WO disclosed
WO-2011133436-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2011-10-27 WO disclosed
US-8025502-B2 Light guide for dentistry applications DISCUS DENTAL, LLC (US) 2011-09-27 US disclosed
US-20110027336-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-02-03 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-20110027336-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME LDHA, LDHB, CA1 CYP1A2 4312/4885LMNA 2203/4885MAPK1 1734/4885

“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.