SCHEMBL2164103

SCHEMBL2164103

C=Cc1cccc(C([O])=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.47
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TTR P02766 3/20 0.41
RHOA P61586 1/20 0.39
AKT1 P31749 1/20 0.39
FBP1 P09467 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.37
P4HB P07237 1/20 0.37
DRD4 P21917 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL28242748 0.85 TDP1 (0.52) UNGTDP1TP53PTGS2ALDH1A1
SCHEMBL29373775 0.83 UNG (0.68) UNGTDP1TP53ALDH1A1TSHR
SCHEMBL15036 0.83 UNG (0.68) UNGTDP1TP53ALDH1A1TSHR
SCHEMBL21777904 0.83 UNG (0.68) UNGTDP1TP53ALDH1A1TSHR
Benzene SCHEMBL16487418 0.83 UNG (0.68) UNGTDP1TP53ALDH1A1TSHR
SCHEMBL2941744 0.82 ALDH1A1 (0.46) UNGTDP1TP53PTGS2ALDH1A1
Bromide SCHEMBL3626512 0.82 UNG (0.66) UNGTDP1TP53ALDH1A1TSHR
SCHEMBL30005591 0.82 PARP1 (0.53) UNGTDP1TP53TSHRPOLB
Hydrochloric Acid SCHEMBL2907557 0.82 UNG (0.66) UNGTDP1TP53ALDH1A1TSHR
SCHEMBL4153267 0.82 TDP1 (0.50) UNGTDP1TP53PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US claimed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP claimed
EP-2228376-B1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY KITASATO INST (JP) 2015-06-03 EP disclosed
US-8519128-B2 Pyripyropene derivatives having an ACAT2-inhibiting activity THE KITASATO INSTITUTE (JP) 2013-08-27 US disclosed
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US disclosed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 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-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity ACAT2, ACAT1, AGPAT2 UNG 3585/4885TDP1 1436/4885TP53 2452/4885

“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.