SCHEMBL10073556

SCHEMBL10073556

O=CO[C@H]1C[C@@H](C(=O)O)C[C@@H](C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.35
CYP2C19 P33261 2/20 0.32
GABRR1 P24046 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ABAT P80404 1/20 0.31
APLNR P35414 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL14944735 1.00 ACE (0.35) ACECYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL22613896 0.98 CYP2C19 (0.33) ACECYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL22695503 0.87 CHRNB2 (0.41)
SCHEMBL5353331 0.83 ACE (0.41) ACECYP2C19GABRR1SLC1A2SLC1A1
SCHEMBL10299221 0.79 BTK (0.39) ACEGABRR1GABRPGABRDGABRA1
SCHEMBL15725229 0.79 BTK (0.39) ACEGABRR1GABRPGABRDGABRA1
SCHEMBL25808412 0.78
SCHEMBL5360064 0.77 LMNA (0.40) ACECYP2C19APLNRGABRPGABRD
SCHEMBL19626326 0.77 LMNA (0.40) ACECYP2C19APLNRGABRPGABRD
SCHEMBL23366184 0.74 CYP2C19 (0.50) ACECYP2C19GABRR1CYP1A2CYP2D6

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-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 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-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG ACE 3407/4885CYP2C19 4832/4885GABRR1 1887/4885

“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.