SCHEMBL774829

SCHEMBL774829

CC(O[C]=O)c1ccc2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.54
TXNRD3 Q86VQ6 1/20 0.54
TXNRD2 Q9NNW7 1/20 0.54
KMT2A Q03164 5/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
POLB P06746 3/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
SRC P12931 1/20 0.34
AOC3 Q16853 1/20 0.33
RAB9A P51151 2/20 0.32
NQO2 P16083 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL6046956 0.85 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL1898972 0.83 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL15049954 0.82 TXNRD1 (0.48) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL3489697 0.81 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL17257753 0.78 MAPT (0.54) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL125664 0.78 MAPT (0.54) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL6054284 0.77 TXNRD1 (0.55) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL16724095 0.75 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL16722824 0.74 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2KMT2AMAPT
SCHEMBL6038159 0.73 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2KMT2AMAPT

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates CENTRILLION TECHNOLOGIES, INC. 2023-03-23 US claimed
US-20180149611-A1 BIOSENSOR AND METHOD OF FORMING PROBE ON SOLID SURFACE OF BIOSENSOR Caduceus Biotechnology Inc. (TW) 2018-05-31 US claimed
US-20140142253-A1 Dithiolane Based Thiol Modifier For Labeling and Stronger Immobilization of Bio-Molecules On Solid Surfaces CHEMGENES CORPORATION (US) 2014-05-22 US claimed
WO-2013126034-A1 SYNTHESIS OF HIGH PURITY DMT-C3-DISULFIDE PHOSPHORAMIDITE CHEMGENES CORPORATION (US) 2013-08-29 WO claimed
US-7144700-B1 Photolithographic solid-phase polymer synthesis AFFYMETRIX, INC. (US) 2006-12-05 US claimed
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates CENTRILLION TECHNOLOGIES, INC. 2023-03-23 US disclosed
WO-2021117680-A1 BIOLOGICAL SUBSTANCE IMMOBILIZATION MATERIAL 国立大学法人 東京大学 2021-06-17 WO disclosed
EP-3802847-A1 INCREASING EFFICIENCY OF PHOTOCHEMICAL REACTIONS ON SUBSTRATES Centrillion Technologies, Inc. (US) 2021-04-14 EP disclosed
US-20200397901-A1 PHOTORESPONSIVE SMOOTHENED LIGAND THE UNIVERSITY OF TOKYO (JP) 2020-12-24 US disclosed
US-10872924-B2 Microarray and method for forming the same Centrillion Technologies Taiwan Co. LTD. (TW) 2020-12-22 US disclosed
US-20190165039-A1 MICROARRAY AND METHOD FOR FORMING THE SAME Centrillion Technologies Taiwan Co. LTD. (TW) 2019-05-30 US disclosed
US-20180149611-A1 BIOSENSOR AND METHOD OF FORMING PROBE ON SOLID SURFACE OF BIOSENSOR Caduceus Biotechnology Inc. (TW) 2018-05-31 US disclosed
US-20030013080-A1 Complex multicellular assemblies ex vivo BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-01-16 US disclosed
US-20010049108-A1 Methods for reducing non-specific binding to an oligonucleotide array MCGALL GLENN (US) 2001-12-06 US disclosed
US-6307042-B1 GENERATING NUCLEOTIDE SEQUENCES; PROVIDE SUBSTRATE WAFERS, REMOVE PROTECTED GROUPS, TRANSFER SUBSTRATE WAFERS TO COUPLING STATION, TRANSFER SUBSTRATE WAFER TO ACTIVATION STATION, ANALYZE POLYMER LAYOUTS AFFYMETRIX, INC. 2001-10-23 US disclosed
EP-1071821-A1 METHODS FOR REDUCING NON-SPECIFIC BINDING TO A NUCLEIC ACID PROBE ARRAY Affymetrix, Inc. (a California Corporation) (US) 2001-01-31 EP disclosed
WO-1999054509-A1 METHODS FOR REDUCING NON-SPECIFIC BINDING TO A NUCLEIC ACID PROBE ARRAY AFFYMETRIX, INC. (US) 1999-10-28 WO disclosed
EP-0950112-A1 PHOTOLABILE POLYMER ARRAY SYNTHESIS METHODS Affymetrix, Inc. (a California Corporation) (US) 1999-10-20 EP disclosed
US-5959098-A ACTIVATING AND COUPLING MONOMERS IN DIFFERENT SELECTED ZONES OF SUBSTRATE FORMING DIFFERENT SEQUENCES IN DIFFERENT AREAS; ACTIVATING BY DIRECTING RADIATION AT SURFACE OF SUBSTRATE WITH FUNCTIONAL GROUPS PROTECTED BY PHOTOLABILE GROUPS AFFYMETRIX, INC. (US) 1999-09-28 US disclosed
WO-1997039151-A1 PHOTOLABILE POLYMER ARRAY SYNTHESIS METHODS AFFYMETRIX, INC. (US) 1997-10-23 WO 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 (4 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-20140142253-A1 Dithiolane Based Thiol Modifier For Labeling and Stronger Immobilization of Bio-Molecules On Solid Surfaces PTMS, SPOUT1, SRMS TXNRD1 721/4885TXNRD3 667/4885TXNRD2 1045/4885
US-20200397901-A1 PHOTORESPONSIVE SMOOTHENED LIGAND SMO, GLI1, SHH TXNRD1 1702/4885TXNRD3 2202/4885TXNRD2 2409/4885
US-20230092024-A1 Increasing Efficiency Of Photochemical Reactions On Substrates TYR, PCNA, DNMT1 TXNRD1 2296/4885TXNRD3 302/4885TXNRD2 1299/4885
US-20010049108-A1 Methods for reducing non-specific binding to an oligonucleotide array DCLRE1B, CD2BP2, NT5C3B TXNRD1 1912/4885TXNRD3 717/4885TXNRD2 1430/4885

“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.