SCHEMBL5132166

SCHEMBL5132166

CCC(CC(=O)O)C1OCCO1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
REN P00797 1/20 0.30
ACE P12821 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28220777 0.85 GPR84 (0.35) ALDH1A1TDP1
SCHEMBL13038050 0.78 THRB (0.30)
SCHEMBL27838535 0.78 ALDH1A1 (0.36) ALDH1A1SLC22A6TDP1
SCHEMBL11211919 0.74
SCHEMBL15187890 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21987118 0.72
SCHEMBL5967517 0.72 ALDH1A1 (0.52) ALDH1A1SLC22A6RENACETDP1
SCHEMBL9359834 0.71 CPA1 (0.34) TDP1
SCHEMBL18944397 0.70 THRB (0.36)
SCHEMBL29238651 0.69 ALDH1A1 (0.63) ALDH1A1SLC22A6RENACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
WO-2000044731-A1 NOVEL HYDROXYAMIDINO CARBOXYLATE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 2000-08-03 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1195/4885SLC22A6 989/4885NPSR1 309/4885

“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.