SCHEMBL5733413

SCHEMBL5733413

CCOc1cccc(C(=O)CP(=O)(OC)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 4/20 0.50
NR1H4 Q96RI1 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
ALOX12 P18054 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5734264 0.88 SMPD1 (0.55) POLBKMT2ANR1H4MAPTMAPK1
SCHEMBL5732667 0.87 CES2 (0.57) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL6490447 0.84 MAOB (0.63) KMT2ANR1H4MEN1
SCHEMBL5733091 0.83 ERCC5 (0.57) RAB9ANPC1POLBCASP3SENP8
SCHEMBL5734492 0.82 NR1H4 (0.48) POLBSMN1; SMN2KMT2ALMNANR1H4
SCHEMBL6486922 0.82 KMT2A (0.43) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL5733422 0.82 RAB9A (0.51) RAB9ANPC1POLBCASP3SENP8
SCHEMBL5733071 0.81 L3MBTL1 (0.49) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL11825441 0.80 LMNA (0.48) RAB9ANPC1POLBCASP3SENP8
SCHEMBL5733382 0.80 NR4A2 (0.64) RAB9ANPC1KMT2ALMNAHPGD

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 2718/4885NPC1 918/4885POLB 3426/4885

“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.