SCHEMBL787672

SCHEMBL787672

C=C(CCCCC)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
AKR1B1 P15121 1/20 0.40
FAAH O00519 1/20 0.39
TSHR P16473 6/20 0.39
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL28360214 0.98 CES2 (0.43) CES2CES1FAAHTSHRGPR84
SCHEMBL28326775 0.98 CES2 (0.43) CES2CES1FAAHTSHRGPR84
SCHEMBL28126297 0.98 CES2 (0.43) CES2CES1FAAHTSHRGPR84
SCHEMBL12948689 0.98 CES2 (0.43) CES2CES1FAAHTSHRGPR84
SCHEMBL21981517 0.94 CES1 (0.39) CES2CES1AKR1B1FAAHTSHR
Acrylic Acid SCHEMBL25279156 0.90 TSHR (0.38) CES2CES1AKR1B1FAAHTSHR
SCHEMBL18912071 0.90 CES2 (0.36) CES2CES1AKR1B1FAAHTSHR
SCHEMBL395187 0.86 ALDH1A1 (0.36) CES2CES1TSHRALDH1A1
Acrylic Acid SCHEMBL27398374 0.84 TSHR (0.36) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL29117754 0.84 CES2 (0.41) CES2CES1FAAHTSHRGPR84

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-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US claimed
WO-2012037258-A1 PROCESSES FOR PREPARING 1,2-SUBSTITUTED CYCLOPROPYL DERIVATIVES ABBOTT LABORATORIES (US) 2012-03-22 WO claimed

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-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 CES2 1424/4885CES1 671/4885AKR1B1 658/4885

“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.