SCHEMBL7606522

SCHEMBL7606522

CC(=O)OCc1oc(=O)oc1CCO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA2 P00918 1/20 0.31
PTGS1 P23219 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL24966594 0.89 ALDH1A1 (0.42) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL15488970 0.81 ALDH1A1 (0.37) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL7604354 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL8472511 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL23685460 0.79 ALDH1A1 (0.35) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL23685501 0.77 ALDH1A1 (0.34) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL13415633 0.76 ALDH1A1 (0.36) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL7606355 0.75 ALDH1A1 (0.35) ALDH1A1CYP3A4LMNAHSD17B10CA2
SCHEMBL9945573 0.72 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAPTGS1TSHR
SCHEMBL14010067 0.71 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2

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 5 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
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 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 (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 ALDH1A1 484/4885CYP3A4 408/4885LMNA 1723/4885

“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.