SCHEMBL2830540

SCHEMBL2830540

CC1(C)CC(=O)C(C(=O)C(=O)O)CO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2469602 0.78 ALDH1A1 (0.38) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL1700018 0.77 ALDH1A1 (0.36) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL14251019 0.77 ALDH1A1 (0.36) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL7056602 0.67 ALDH1A1 (0.38) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL12489209 0.67 ALDH1A1 (0.38) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL18898921 0.64 ALDH1A1 (0.34) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL16516842 0.62 APLNR (0.33) ALDH1A1TSHRMAPTPOLB
SCHEMBL7280007 0.59 ALDH1A1 (0.38) ALDH1A1LMNATSHRMAPTKMT2A
SCHEMBL21434917 0.58 APLNR (0.52) ALDH1A1LMNATSHRMAPTPOLB
SCHEMBL21434918 0.58 APLNR (0.52) ALDH1A1LMNATSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 ALDH1A1 1042/4885LMNA 3702/4885HTT 4719/4885

“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.