SCHEMBL5734334

SCHEMBL5734334

COc1ccc(Cc2cccc(C(=O)CP(=O)(OC)OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SNCA P37840 1/20 0.44
SMPD1 P17405 1/20 0.43

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
SCHEMBL5734534 0.89 LMNA (0.53) RAB9ASMN1; SMN2LMNATP53MRGPRX4
SCHEMBL5734341 0.83 RAB9A (0.44) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL5732667 0.82 CES2 (0.57) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL5734221 0.81 LMNA (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL31674610 0.79 MRGPRX4 (0.71) RAB9ASMN1; SMN2NPC1TP53MRGPRX4
SCHEMBL5733021 0.79 CYP4F2 (0.46) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL28139163 0.78 PARP1 (0.61) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL5732739 0.77 MRGPRX4 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL6476639 0.75 POLB (0.42) LMNAKDM4EPOLBHTT
SCHEMBL5732711 0.75 POLB (0.50) RAB9AALDH1A1NPC1LMNAKDM4E

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.