SCHEMBL5734264

SCHEMBL5734264

CCCCOc1cccc(C(=O)CP(=O)(OC)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.55
THRB P10828 2/20 0.54
THRA P10827 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
KMT2A Q03164 4/20 0.52
PLA2G4B P0C869 1/20 0.52
KAT6A Q92794 2/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 3/20 0.48
ADRB2 P07550 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5733413 0.88 RAB9A (0.52) NR1H4KMT2AKAT6AMAPK1MEN1
SCHEMBL5734492 0.84 NR1H4 (0.48) SMPD1NR1H4KMT2AGAAPOLB
SCHEMBL6486922 0.84 KMT2A (0.43) SMPD1THRBTHRANR1H4KMT2A
SCHEMBL5732667 0.83 CES2 (0.57) KMT2AMEN1POLB
SCHEMBL5734272 0.82 SMPD1 (0.53) SMPD1THRBTHRANR1H4KMT2A
SCHEMBL15474092 0.82 THRB (0.63) SMPD1THRBTHRANR1H4KMT2A
SCHEMBL6490447 0.81 MAOB (0.63) SMPD1NR1H4KMT2AMEN1
SCHEMBL5733091 0.80 ERCC5 (0.57) KMT2AKAT6AMEN1POLB
SCHEMBL5051428 0.79 THRB (0.60) SMPD1THRBTHRANR1H4KMT2A
SCHEMBL5733759 0.78 KDM4E (0.55) GAATP53

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
CN-1863768-A Prostaglandin analogs as agonists of the EP4 receptor HOFFMANN LA ROCHE (CH) 2006-11-15 CN disclosed
EP-1409455-B1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-6900336-B2 8-aza-11-deoxy prostaglandin analogues SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction SYNTEX (U.S.A.) LLC 2003-06-26 US disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 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-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction PTGER4, FFAR4, PTGER1 SMPD1 2894/4885THRB 494/4885THRA 399/4885

“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.