SCHEMBL10001210

SCHEMBL10001210

CC(C)(C)C(=O)COCCOCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
EPHX2 P34913 1/20 0.33
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PTGS1 P23219 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 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
SCHEMBL16186199 0.98 CES2 (0.37) CES2MAPK1TSHRSMN1; SMN2CTH
SCHEMBL12031567 0.91 CES2 (0.48) CES2MAPK1TSHRSMN1; SMN2CTH
SCHEMBL12927082 0.91 PTGS1 (0.37) CES2MAPK1TSHRSMN1; SMN2CTH
SCHEMBL18751670 0.91 CES2 (0.43) CES2MAPK1TSHRSMN1; SMN2KMT2A
SCHEMBL25725933 0.88 CES2 (0.42) CES2MAPK1TSHRSMN1; SMN2KMT2A
SCHEMBL26353810 0.88 CES2 (0.42) CES2MAPK1TSHRSMN1; SMN2KMT2A
SCHEMBL17208236 0.82 ALDH1A1 (0.46) CES2MAPK1TSHRSMN1; SMN2THRB
SCHEMBL6840501 0.82 CES2 (0.38) CES2MAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL17516305 0.80 CES2 (0.37) CES2MAPK1ALDH1A1HTTVDR
SCHEMBL15946950 0.80 CES2 (0.46) CES2MAPK1TSHRKMT2ATHRB

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-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 CES2 13/4885MAPK1 3176/4885TSHR 4283/4885

“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.