SCHEMBL69650

SCHEMBL69650

CCOc1c(C(C)(C)C)ccc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 8/20 0.38
ALOX15 P16050 5/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2C9 P11712 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
MIF P14174 1/20 0.38
TYR P14679 1/20 0.38
HTT P42858 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CA2 P00918 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL1049663 0.79 CA2 (0.45) ALDH1A1ALOX15HSD17B10CYP2C9NR1I2
SCHEMBL4100727 0.76 RORC (0.40) ALDH1A1ALOX15HSD17B10KDM4EMAPT
SCHEMBL26778063 0.75 NQO1 (0.36) PTGS1PTGS2ALDH1A1HSD17B10HTT
SCHEMBL5588485 0.75 ESR1 (0.46) ALDH1A1ALOX15HSD17B10KDM4EMAPT
SCHEMBL11131743 0.73 NQO1 (0.46) ALDH1A1ALOX15HSD17B10CA2KDM4E
SCHEMBL29488108 0.71 CA2 (0.56) ALDH1A1ALOX15HSD17B10CYP2C9NR1I2
SCHEMBL3169896 0.71 CA2 (0.56) ALDH1A1ALOX15HSD17B10CYP2C9NR1I2
SCHEMBL6232397 0.70 ESR1 (0.43) ALDH1A1ALOX15HSD17B10KDM4EMAPT
SCHEMBL5083160 0.70 ALDH1A1 (0.56) ALDH1A1ALOX15HSD17B10CYP2C9NR1I2
SCHEMBL12365828 0.69 CA2 (0.40) ALDH1A1HSD17B10CA2KDM4ETDP1

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 PTGS1 2544/4885PTGS2 2866/4885ALDH1A1 1882/4885

“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.