SCHEMBL7603519

SCHEMBL7603519

CC(=O)OC(C)OC(=O)[C@@H](C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PGR P06401 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL15047801 1.00 TSHR (0.46) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL987906 0.82 TSHR (0.65) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL5986989 0.80 TSHR (0.50) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL5987010 0.80 TSHR (0.50) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL7601923 0.80 TSHR (0.50) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL7603123 0.78 TSHR (0.48) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL7603101 0.77 TSHR (0.42) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL5986125 0.77 TSHR (0.42) TSHRPGRPTGS1PDE4ACHRM2
SCHEMBL5987142 0.77 TSHR (0.42) TSHRPGRPTGS1PDE4ACHRM2
Acetic Acid SCHEMBL11076307 0.76 TSHR (0.58) TSHRPGRPTGS1PDE4ACHRM2

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885PGR 1171/4885PTGS1 333/4885

“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.