SCHEMBL5733122

SCHEMBL5733122

CC=Cc1cccc(C(=O)CP(=O)(O)OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.39
▸ NR1I2 O75469 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ TTR P02766 2/20 0.35
▸ P4HB P07237 2/20 0.34
▸ BCHE P06276 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL5733123 0.80 POLB (0.44) RXFP1POLBLMNAHDAC3HDAC1
SCHEMBL5733118 0.80 POLB (0.44) RXFP1POLBLMNAHDAC3HDAC1
SCHEMBL5732716 0.80 KDM4E (0.45) ALDH1A1KDM4EPOLBLMNANPC1
SCHEMBL5733074 0.80 L3MBTL1 (0.47) RXFP1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL5734228 0.79 CYP4F2 (0.42) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL5732630 0.78 ALDH1A1 (0.34) NR1I2ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL5733422 0.77 RAB9A (0.51) ALDH1A1KDM4ESMN1; SMN2POLBLMNA
SCHEMBL5734479 0.77 L3MBTL1 (0.50) ALDH1A1POLBLMNAMAPT
SCHEMBL5732673 0.77 CES2 (0.51) ALDH1A1KDM4ESMN1; SMN2POLBHDAC3
SCHEMBL5734845 0.77 POLB (0.57) NR1I2ALDH1A1KDM4ESMN1; SMN2POLB

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 RXFP1 414/4885NR1I2 280/4885ALDH1A1 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.

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