SCHEMBL10026749

SCHEMBL10026749

CCCCOCC(=O)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.60
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.41
FAAH O00519 7/20 0.39
ATM Q13315 1/20 0.39
CES1 P23141 4/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL15710993 0.94 CES2 (0.69) CES2FAAHCES1MEN1CYP1A2
SCHEMBL10026752 0.86 CES2 (0.48) CES2ALDH1A1FAAHCES1MEN1
SCHEMBL18751670 0.84 CES2 (0.43) CES2TSHRALDH1A1KMT2AHSD17B10
SCHEMBL15946950 0.83 CES2 (0.46) CES2TSHRALDH1A1FAAHMEN1
SCHEMBL17913990 0.83 CES2 (0.46) CES2TSHRALDH1A1FAAHMEN1
SCHEMBL25725933 0.81 CES2 (0.42) CES2TSHRALDH1A1MEN1KMT2A
SCHEMBL26353810 0.81 CES2 (0.42) CES2TSHRALDH1A1MEN1KMT2A
SCHEMBL26261906 0.81 CES2 (0.44) CES2ALDH1A1
SCHEMBL12031567 0.81 CES2 (0.48) CES2TSHRALDH1A1
SCHEMBL17208236 0.80 ALDH1A1 (0.46) CES2TSHRALDH1A1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022040-A1 ANTIMICROBIALS AMPLYX PHARMACEUTICALS, INC. 2012-01-26 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-20120022040-A1 ANTIMICROBIALS PAM, MPO, OXA1L CES2 149/4885TSHR 4866/4885ALDH1A1 592/4885

“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.