SCHEMBL71053

SCHEMBL71053

CCc1c(O)ccc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.43
ESR2 Q92731 9/20 0.43
AR P10275 3/20 0.43
TRPA1 O75762 2/20 0.43
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
PSMD14 O00487 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL11986920 0.87 ESR1 (0.37) ESR1ESR2ARTRPA1TP53
SCHEMBL4135611 0.85 ALDH1A1 (0.43) ESR1ESR2ARTRPA1ALDH1A1
SCHEMBL21981883 0.83 ESR1 (0.40) ESR1ESR2ARTRPA1TP53
SCHEMBL2065679 0.82 TRPA1 (0.48) ESR1ESR2ARTRPA1TDP1
SCHEMBL983528 0.81 ESR1 (0.41) ESR1ESR2ARTRPA1TP53
SCHEMBL5195607 0.81 TRPA1 (0.41) ESR1ESR2ARTRPA1TP53
SCHEMBL9155666 0.80 HPGD (0.48) ESR1ESR2ARTRPA1ALDH1A1
SCHEMBL30026897 0.79 TRPA1 (0.48) ESR1ESR2ARTRPA1TP53
SCHEMBL858277 0.79 TRPA1 (0.48) ESR1ESR2ARTRPA1TP53
SCHEMBL28233565 0.79 TYR (0.53) ESR1ESR2TP53TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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 (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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ESR1 1265/4885ESR2 2595/4885AR 68/4885

“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.