SCHEMBL29654872

SCHEMBL29654872

O=C1COC(=O)CCCCCCCCCCCC(=O)OC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 2/20 0.45
TRIM24 O15164 2/20 0.45
TRIM33 Q9UPN9 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.31
FKBP5 Q13451 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL6276620 0.83
SCHEMBL4551488 0.82 TRIM24 (0.52) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL10364956 0.77 CA1 (0.48) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL28461740 0.77 CA1 (0.48) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL1999862 0.77 CA1 (0.76) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL24567357 0.77 CA1 (0.78) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL7060518 0.77 CA1 (0.78) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL291354 0.77 CA1 (0.78) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL7059546 0.77 CA1 (0.78) CA1CA9ALDH1A1TRIM24TRIM33
SCHEMBL7059169 0.77 CA1 (0.78) CA1CA9ALDH1A1TRIM24TRIM33

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-20220298160-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-09-22 US disclosed
EP-4021916-A1 4'-ETHYNYL-2'-DEOXYADENOSINE DERIVATIVES AND THEIR USE IN HIV THERAPY GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) 2022-07-06 EP 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-20220298160-A1 COMPOUNDS USEFUL IN HIV THERAPY CCR5, CD4, LSS CA1 4729/4885CA9 3529/4885ALDH1A1 669/4885

“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.