SCHEMBL781741

SCHEMBL781741

C=Cc1ccc(C([O])=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.46
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TSHR P16473 2/20 0.42
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC2 Q92769 1/20 0.35
AKT1 P31749 1/20 0.34
F3 P13726 1/20 0.34
HDAC1 Q13547 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
TNFRSF1A P19438 1/20 0.33
TP53 P04637 1/20 0.33
SNCA P37840 1/20 0.33

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
SCHEMBL3753579 0.82 ALDH1A1 (0.58) ALDH1A1TDP1TAS1R3TAS1R1TSHR
SCHEMBL38133 0.82 ALDH1A1 (0.58) ALDH1A1TDP1TAS1R3TAS1R1TSHR
SCHEMBL3628542 0.80 ALDH1A1 (0.55) ALDH1A1TDP1TAS1R3TAS1R1TSHR
SCHEMBL16536 0.80 ALDH1A1 (0.62) ALDH1A1TDP1TSHRKMT2AGLA
SCHEMBL23391004 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TAS1R3TAS1R1TSHR
SCHEMBL273504 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TAS1R3TAS1R1KMT2A
SCHEMBL8490138 0.78 ALDH1A1 (0.60) ALDH1A1TDP1TSHRKMT2AGLA
SCHEMBL4344885 0.78 ALDH1A1 (0.60) ALDH1A1TDP1TSHRKMT2AGLA
SCHEMBL11050679 0.78 ALDH1A1 (0.60) ALDH1A1TDP1TSHRKMT2AGLA
SCHEMBL362842 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TAS1R3TAS1R1TSHR

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 10 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-8759560-B2 Surface-modified zirconia nanocrystal particle and method for producing same HOYA CORPORATION (JP) 2014-06-24 US disclosed
US-8519128-B2 Pyripyropene derivatives having an ACAT2-inhibiting activity THE KITASATO INSTITUTE (JP) 2013-08-27 US disclosed
US-20120071680-A1 SURFACE-MODIFIED ZIRCONIA NANOCRYSTAL PARTICLE AND METHOD FOR PRODUCING SAME HOYA CORPORATION (JP) 2012-03-22 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
US-20090318663-A1 Polymerizable Spherical Transition Metal Complex, Spherical Transition Metal Complex, and Production Method Thereof UNIVERSITY OF TOKYO, THE (JP) 2009-12-24 US disclosed
US-4042538-A Sugar p-vinylbenzoyl ester and copolymers thereof TATE & LYLE LIMITED (EN) 1977-08-16 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 (2 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 ALDH1A1 1202/4885TDP1 1436/4885TAS1R3 3614/4885
US-20120071680-A1 SURFACE-MODIFIED ZIRCONIA NANOCRYSTAL PARTICLE AND METHOD FOR PRODUCING SAME PIM1, NOXO1, PIM3 ALDH1A1 2682/4885TDP1 2914/4885TAS1R3 4146/4885

“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.