SCHEMBL1368545

SCHEMBL1368545

COc1cccc(C(C)(O)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
LMNA P02545 2/20 0.47
PARP1 P09874 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
STAT1 P42224 1/20 0.46
HTT P42858 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
TP53 P04637 1/20 0.43
KIF11 P52732 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL7319456 0.85 AKR1C3 (0.50) LMNANPC1RAB9ASMN1; SMN2PDK1
SCHEMBL2797715 0.84 CES2 (0.50) CES2CES1LMNAPARP1NPC1
SCHEMBL4958167 0.84 CES2 (0.50) CES2CES1LMNAPARP1NPC1
SCHEMBL1356271 0.84 AKR1C3 (0.52) CES2CES1LMNAPARP1NPC1
SCHEMBL28036447 0.84 NPC1 (0.44) CES2CES1LMNAPARP1NPC1
SCHEMBL6288739 0.83 CES2 (0.49) CES2CES1LMNAPARP1NPC1
SCHEMBL4693833 0.83 CES2 (0.49) CES2CES1LMNAPARP1NPC1
SCHEMBL7332434 0.81 KDM4E (0.53) KDM4ECYP1A2TSHR
SCHEMBL30577887 0.81 KDM4E (0.53) KDM4ECYP1A2TSHR
SCHEMBL14166571 0.81 CYP2C9 (0.49) CES2CES1LMNAPARP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287059-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2011-11-24 US disclosed
EP-2368111-A1 HONEY ANALYSIS Comvita New Zealand Limited (NZ) 2011-09-28 EP disclosed
WO-2010082845-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2010-07-22 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-20110287059-A1 HONEY ANALYSIS GLO1, GLMN, AGER CES2 4015/4885CES1 4402/4885LMNA 2071/4885

“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.