SCHEMBL11943576

SCHEMBL11943576

CCCCOC1C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.42
PPP5C P53041 1/20 0.37
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLB1 P16278 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
GBA2 Q9HCG7 2/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL14153818 0.91 GBA1 (0.44) GBA1PPP5CGLB1GBA2
SCHEMBL17342220 0.86 GBA1 (0.42) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL16769690 0.86 GBA1 (0.42) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL15948615 0.86 GBA1 (0.42) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL14210158 0.85 GBA1 (0.53) GBA1PPP5CEPHX2GLB1GBA2
SCHEMBL6852788 0.84 GBA1 (0.41) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL17859520 0.79 GBA1 (0.41) GBA1PPP5CTSHREPHX2SMN1; SMN2
SCHEMBL16449108 0.79 ADRB2 (0.35) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL27098020 0.79 ADRB2 (0.35) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL25578790 0.79 EPHX2 (0.38) GBA1PPP5CTSHREPHX2ALDH1A1

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-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 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-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS DDO, APEX1, MMAB GBA1 969/4885PPP5C 3786/4885TSHR 2913/4885

“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.