SCHEMBL5734341

SCHEMBL5734341

CCOP(=O)(O)CC(=O)c1cccc(Cc2ccc(OC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LTA4H P09960 1/20 0.42
SNCA P37840 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL5734543 0.89 LMNA (0.42) SMN1; SMN2LMNATP53PKMNFKB1
SCHEMBL5732673 0.84 CES2 (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL5734334 0.83 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL5734228 0.82 CYP4F2 (0.42) RAB9ASMN1; SMN2LMNANPC1TP53
SCHEMBL5733025 0.80 KAT6A (0.43) RAB9ASMN1; SMN2LMNANPC1TP53
SCHEMBL5732744 0.78 MRGPRX4 (0.56) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL5733422 0.76 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL27845077 0.76 CYP4F2 (0.57) RAB9ASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6476647 0.76 HTT (0.40) RAB9ASMN1; SMN2LMNANPC1TP53
SCHEMBL5732716 0.76 KDM4E (0.45) RAB9AALDH1A1LMNANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 2718/4885SMN1; SMN2 4413/4885ALDH1A1 569/4885

“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.