SCHEMBL2565864

SCHEMBL2565864

OBO.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.79
CA1 P00915 5/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA7 P43166 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 1/20 0.50
AGXT P21549 1/20 0.48
ALDH1A1 P00352 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
Hydrogen Peroxide SCHEMBL28758135 0.92 TSHR (0.94) TSHRCA1CA2CA9CA7
SCHEMBL27380 0.89 TSHR (1.00) TSHRCA1CA2CA9CA7
SCHEMBL5311581 0.89 TSHR (1.00) TSHRCA1CA2CA9CA7
Hydroxyamine SCHEMBL1680424 0.86 TSHR (0.83) TSHRCA1CA2CA9CA7
SCHEMBL28758137 0.86 TSHR (0.83) TSHRCA1CA2CA9CA7
SCHEMBL7243519 0.86 TSHR (0.83) TSHRCA1CA2CA9CA7
SCHEMBL1009266 0.86 TSHR (0.94) TSHRCA1CA2CA9CA7
SCHEMBL10317949 0.86 TSHR (0.94) TSHRCA1CA2CA9CA7
SCHEMBL9795394 0.86 TSHR (0.94) TSHRCA1CA2CA9CA7
SCHEMBL9491202 0.86 TSHR (0.94) TSHRCA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130315829-A1 Compounds and Methods for Detecting Reactive Oxygen Species THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-28 US disclosed
WO-2011133800-A1 COMPOUNDS AND METHODS FOR DETECTING REACTIVE OXYGEN SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-27 WO disclosed
US-20070231467-A1 METHOD FOR MANUFACTURING LIGHT EMITTING DEVICE AND METHOD FOR MANUFACTURING ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2007-10-04 US disclosed
US-20070218190-A1 METHOD FOR MANUFACTURING LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2007-09-20 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-20130315829-A1 Compounds and Methods for Detecting Reactive Oxygen Species GPX4, TXN2, PRDX5 TSHR 4845/4885CA1 1003/4885CA2 450/4885

“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.