SCHEMBL265477

SCHEMBL265477

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
RRM1 P23921 1/20 0.40
TRPA1 O75762 1/20 0.40
PRKCA P17252 2/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
HRH1 P35367 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL9745564 1.00 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL1267661 0.92 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL6036839 0.85 LMNA (0.51) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL5175797 0.85 LMNA (0.51) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL8862332 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL1269016 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL9742799 0.85 PRKCA (0.41) ALDH1A1LMNAPRKCACYP1A2MEN1
SCHEMBL18050489 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL9743654 0.84 MEN1 (0.43) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL11313731 0.83 PRKCA (0.43) ALDH1A1LMNAHSD17B10MGAMGAA

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-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 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 (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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 ALDH1A1 1934/4885LMNA 4069/4885HSD17B10 1181/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 ALDH1A1 2376/4885LMNA 4180/4885HSD17B10 1722/4885

“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.