SCHEMBL1033469

SCHEMBL1033469

CC(=O)c1ccc(/C=C(\C)C(=O)O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.43
CYP2A6 P11509 1/20 0.40
APEX1 P27695 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SLC2A1 P11166 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HSD17B1 P14061 1/20 0.36
SLC9A1 P19634 1/20 0.36
SLC9A3 P48764 1/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1033471 1.00 AKR1C3 (0.43) AKR1C3CYP2A6APEX1KDM4EALDH1A1
SCHEMBL24176985 0.83 AKR1C3 (0.43) AKR1C3CYP2A6APEX1KDM4EALDH1A1
SCHEMBL1389544 0.82 SLC9A3 (0.47) AKR1C3APEX1KDM4EMEN1KMT2A
SCHEMBL20614453 0.81 AKR1C3 (0.44) AKR1C3APEX1KDM4EALDH1A1MEN1
SCHEMBL30532980 0.81 AKR1C3 (0.44) AKR1C3APEX1KDM4EALDH1A1HSD17B1
SCHEMBL28791756 0.79 AKR1C3 (0.43) AKR1C3APEX1MEN1KMT2ASLC9A1
SCHEMBL16769475 0.78 CYP2A6 (0.44) CYP2A6APEX1KDM4EALDH1A1KMT2A
SCHEMBL12870064 0.77 TYR (0.44) AKR1C3APEX1KDM4ESLC9A1SLC9A3
SCHEMBL10591550 0.77 CYP2A6 (0.43) CYP2A6KDM4EALDH1A1MEN1KMT2A
SCHEMBL4316791 0.76 ESR1 (0.49) CYP2A6KDM4EALDH1A1MAPTSMN1; SMN2

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-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO. LTD. (JP) 2011-04-28 US disclosed
EP-2277874-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2011-01-26 EP 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-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR PPARA, PPARG, PPARD AKR1C3 1096/4885CYP2A6 891/4885APEX1 2761/4885

“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.