SCHEMBL5025547

SCHEMBL5025547

O=C(O)CC1CCC(=O)Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
EGFR P00533 2/20 0.49
CRBN Q96SW2 7/20 0.47
DDB1 Q16531 3/20 0.47
FFAR1 O14842 1/20 0.45
PPARD Q03181 2/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL9766028 0.85 ALDH1A1 (0.60) ALDH1A1EGFRTP53L3MBTL1GLA
SCHEMBL5025468 0.81 CRBN (0.45) CRBNDDB1FFAR1PPARDTP53
SCHEMBL6443098 0.80 CRBN (0.44) ALDH1A1EGFRCRBNDDB1LMNA
SCHEMBL6441308 0.80 CRBN (0.44) ALDH1A1EGFRCRBNDDB1LMNA
SCHEMBL8524142 0.80 CRBN (0.46) ALDH1A1CRBNDDB1NPC1MAPK13
SCHEMBL29960387 0.80 CRBN (0.47) ALDH1A1CRBNDDB1NPC1MAPK13
Hydrochloric Acid SCHEMBL29960573 0.79 CRBN (0.46) ALDH1A1CRBNDDB1NPC1MAPK13
SCHEMBL28979267 0.78 AOC3 (0.43) ALDH1A1EGFRCRBNDDB1LMNA
SCHEMBL8367985 0.77 EGFR (0.45) ALDH1A1EGFRFFAR1PPARDTP53
SCHEMBL13652133 0.77 ALDH1A1 (0.71) ALDH1A1CRBNDDB1NPC1MAPK13

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-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ALDH1A1 2222/4885EGFR 356/4885CRBN 1649/4885

“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.