SCHEMBL5525138

SCHEMBL5525138

O=C(O)[C@H]1CCC[C@@H]1C(=O)OC(=O)[C@@H]1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.48
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE P12821 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4464323 1.00 PEPD (0.48) PEPDMEN1BLMKMT2AACE
SCHEMBL336245 1.00 PEPD (0.48) PEPDMEN1BLMKMT2AACE
SCHEMBL34169 0.95 PEPD (0.43) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL130870 0.95 PEPD (0.43) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL598373 0.95 PEPD (0.43) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL10578737 0.95 PEPD (0.43) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL9663237 0.93 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL11660179 0.93 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL10739888 0.93 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL7031195 0.93 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1

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-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 PEPD 1883/4885MEN1 3909/4885BLM 3513/4885

“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.