SCHEMBL13455010

SCHEMBL13455010

CC(=O)OC1COC2CCOC21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.40
CHRM2 P08172 5/20 0.40
CHRM1 P11229 3/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
ACACB O00763 1/20 0.33
SLC18A3 Q16572 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL12646354 0.84 BCHE (0.33) BCHE
SCHEMBL16002524 0.83 ALDH1A1 (0.39) BCHEACACBPOLB
SCHEMBL21511221 0.83 ALDH1A1 (0.39) BCHEACACBPOLB
SCHEMBL17518705 0.81 BCHE (0.33) BCHEACACB
SCHEMBL20727181 0.81 BCHE (0.33) BCHEACACB
SCHEMBL26012764 0.79 BCHE (0.41) BCHESLC18A3
SCHEMBL7150802 0.78 BCHE (0.54) BCHECHRM2CHRM1MEN1CYP2D6
SCHEMBL12199932 0.78 BCHE (0.54) BCHECHRM2CHRM1MEN1CYP2D6
SCHEMBL7152562 0.78 BCHE (0.54) BCHECHRM2CHRM1MEN1CYP2D6
SCHEMBL7276665 0.78 BCHE (0.54) BCHECHRM2CHRM1MEN1CYP2D6

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-20160229863-A1 ISOSORBIDE-BASED POLYMETHACRYLATES REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-08-11 US disclosed
US-7671164-B2 Aliphatic polycarbonates, methods of making, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-03-02 US disclosed
US-20090105443-A1 ALIPHATIC POLYCARBONATES, METHODS OF MAKING, AND ARTICLES FORMED THEREFROM SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-04-23 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-20160229863-A1 ISOSORBIDE-BASED POLYMETHACRYLATES AKR1C4, AKR1C3, AKR1C2 BCHE 1284/4885CHRM2 1382/4885CHRM1 1330/4885

“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.