SCHEMBL70237

SCHEMBL70237

COc1cc(O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.80
CA1 P00915 2/20 0.80
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 2/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 4/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.45
HPN P05981 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TYR P14679 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATP2A2 P16615 1/20 0.44
ATP2A3 Q93084 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL39130 0.89 CA2 (1.00) CA2CA1ALDH1A1CYP3A4GAA
Hydroquinone SCHEMBL7796131 0.86 CA2 (0.84) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL1270682 0.86 CA2 (0.84) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL2295824 0.83 CA1 (0.67) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL10406844 0.83 CA2 (0.88) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL240515 0.83 CA2 (0.80) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL29602570 0.83 CA2 (0.80) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL29888641 0.83 CA1 (0.67) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL852671 0.82 CA2 (0.77) CA2CA1ALDH1A1CYP3A4GAA
SCHEMBL5090529 0.82 CA2 (0.77) CA2CA1ALDH1A1CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838186-B2 Photoconductors containing charge transport chelating components XEROX CORPORATION (US) 2010-11-23 US claimed
US-20080286670-A1 Photoconductors containing charge transport chelating components XEROX CORPORATION 2008-11-20 US claimed
US-20140357806-A1 THERMAL-RESPONSIVE POLYMER NETWORKS, COMPOSITIONS, AND METHODS AND APPLICATIONS RELATED THERETO UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2014-12-04 US disclosed
US-8597630-B2 Thermal-responsive polymer networks, compositions, and methods and applications related thereto UNIVERSITY OF MASSACHUSETTS (US) 2013-12-03 US disclosed
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
WO-2011120002-A1 THERMAL-RESPONSIVE POLYMER NETWORKS, COMPOSITIONS, AND METHODS AND APPLICATIONS RELATED THERETO UNIVERSITY OF MASSACHUSETTS (US) 2011-09-29 WO 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
US-7838186-B2 Photoconductors containing charge transport chelating components XEROX CORPORATION (US) 2010-11-23 US disclosed
US-20100280561-A1 Thermal-Responsive Polymer Networks, Compositions, And Methods And Applications Related Thereto UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL 2010-11-04 US disclosed
US-20080286670-A1 Photoconductors containing charge transport chelating components XEROX CORPORATION 2008-11-20 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 CA2 612/4885CA1 550/4885ALDH1A1 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.