SCHEMBL809522

SCHEMBL809522

C[C@H](CO)ONc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TRPA1 O75762 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL812821 1.00 TDP1 (0.40) TDP1ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL2437377 0.82 SMN1; SMN2 (0.42) TDP1ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2437369 0.82 SMN1; SMN2 (0.42) TDP1ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2257955 0.82 TDP1 (0.41) TDP1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL809524 0.81 TRPA1 (0.40) TDP1ALDH1A1HPGDTRPA1SMN1; SMN2
SCHEMBL812233 0.81 TRPA1 (0.40) TDP1ALDH1A1HPGDTRPA1SMN1; SMN2
SCHEMBL942415 0.78 TSHR (0.43) HPGDMTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL2948740 0.77 MAPT (0.39) TDP1ALDH1A1HPGDTRPA1SMN1; SMN2
SCHEMBL2436746 0.77 MAPT (0.39) TDP1ALDH1A1HPGDTRPA1SMN1; SMN2
SCHEMBL10697600 0.77 TDP1 (0.44) TDP1ALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2006-12-28 US disclosed
EP-1661885-A1 OPTICALLY ACTIVE ALPHA-AMINOOXYKETONE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Tokyo University of Science (JP) 2006-05-31 EP 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 TDP1 4401/4885ALDH1A1 1287/4885HPGD 868/4885
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO TDP1 4532/4885ALDH1A1 71/4885HPGD 205/4885
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 TDP1 4266/4885ALDH1A1 354/4885HPGD 1701/4885
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 TDP1 4266/4885ALDH1A1 354/4885HPGD 1701/4885

“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.