SCHEMBL7601658

SCHEMBL7601658

CC(=O)OC(OC(=O)C(C)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 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
SCHEMBL5987004 0.85 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7606484 0.84 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7604408 0.84 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5987105 0.84 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5987234 0.83 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14887425 0.83 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL20749830 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5987350 0.76 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5987744 0.76 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7603123 0.76 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R

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
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
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
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 1316/4885CHRM2 171/4885CHRM4 450/4885

“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.