SCHEMBL5654479

SCHEMBL5654479

O=C(NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc(-c2cccc(C(=O)O)c2)cc1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.65
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SIRT5 Q9NXA8 5/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT2 Q8IXJ6 7/20 0.44
SIRT1 Q96EB6 6/20 0.44
SIRT3 Q9NTG7 3/20 0.44

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
SCHEMBL5652303 0.93 PTGER4 (0.63) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5653855 0.92 PTGER4 (0.65) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5797447 0.91 PTGER4 (0.71) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5797231 0.90 PTGER4 (0.77) PTGER4SIRT5NPC1TP53RAB9A
SCHEMBL5654913 0.89 PTGER4 (0.67) PTGER4HDAC1SIRT5NPC1TP53
SCHEMBL5657013 0.89 PTGER4 (0.65) PTGER4HDAC4HDAC1HDAC2HDAC6
SCHEMBL5653676 0.88 PTGER4 (0.64) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5653440 0.87 PTGER4 (0.63) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5654420 0.86 PTGER4 (0.74) PTGER4SMN1; SMN2
SCHEMBL5737965 0.85 PTGER4 (0.70) PTGER4HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 US 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 PTGER4 1/4885HDAC3 1179/4885HDAC4 401/4885

“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.