SCHEMBL1933622

SCHEMBL1933622

C=C(C)C(=O)OCC.C=C(C)C(=O)OCC.CC=C(C)C(=O)[O-].C[N+](C)(C)Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 4/20 0.37
GLO1 Q04760 1/20 0.36
ALDH1A1 P00352 6/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 2/20 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
Acrylic Acid Ethyl Ester SCHEMBL4138391 0.92 THRB (0.36) THRBTSHRGLO1ALDH1A1NPSR1
Methacrylic Acid SCHEMBL27790083 0.89 THRB (0.47) THRBTSHRGLO1ALDH1A1NPSR1
SCHEMBL4810104 0.85 THRB (0.53) THRBTSHRGLO1ALDH1A1NPSR1
Acrylic Acid SCHEMBL28568730 0.79 ALDH1A1 (0.44) THRBTSHRGLO1ALDH1A1CYP2D6
SCHEMBL27832581 0.78 ALDH1A1 (0.56) THRBTSHRGLO1ALDH1A1CYP2D6
SCHEMBL28342228 0.78 ALDH1A1 (0.56) THRBTSHRGLO1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL4131844 0.78 CHRM5 (0.49) THRBTSHRCYP2D6CYP2C19LMNA
Methacrylic Acid SCHEMBL15456814 0.77 THRB (0.53) THRBTSHRGLO1ALDH1A1NPSR1
Acrylic Acid Ethyl Ester SCHEMBL13519363 0.77 THRB (0.39) THRBTSHRALDH1A1CYP2D6CYP2C19
Methylene Chloride SCHEMBL28244287 0.77 THRB (0.57) THRBTSHRGLO1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040527-A1 DOPA FORMULATIONS FOR TREATMENTS OF PARKINSON'S DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-28 WO disclosed
US-20190054051-A1 DOPA Formulations for Treatments of Parkinson's Disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-21 US disclosed
US-20130059003-A1 SUSTAINED RELEASE DONEPEZIL FORMULATIONS DR. REDDY'S LABORATORIES, INC. (US) 2013-03-07 US disclosed
WO-2011069076-A2 SUSTAINED RELEASE DONEPEZIL FORMULATIONS DR. REDDY'S LABORATORIES LTD. (IN) 2011-06-09 WO 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 (2 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-20190054051-A1 DOPA Formulations for Treatments of Parkinson's Disease PARK7, SLC6A3, SNCA THRB 3292/4885TSHR 1911/4885GLO1 719/4885
US-20130059003-A1 SUSTAINED RELEASE DONEPEZIL FORMULATIONS ACHE, SLC6A2, BCHE THRB 1623/4885TSHR 1795/4885GLO1 816/4885

“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.