SCHEMBL809524

SCHEMBL809524

CC(C)[C@H](CO)ONc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.40
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
GAA P10253 4/20 0.34
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KCNH3 Q9ULD8 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL812233 1.00 TRPA1 (0.40) TRPA1HPGDALDH1A1TDP1MAPT
SCHEMBL812821 0.81 TDP1 (0.40) TRPA1HPGDALDH1A1TDP1MAPT
SCHEMBL809522 0.81 TDP1 (0.40) TRPA1HPGDALDH1A1TDP1MAPT
SCHEMBL2948740 0.74 MAPT (0.39) TRPA1HPGDALDH1A1TDP1MAPT
SCHEMBL2436746 0.74 MAPT (0.39) TRPA1HPGDALDH1A1TDP1MAPT
SCHEMBL10697600 0.74 TDP1 (0.44) HPGDALDH1A1TDP1MAPTGAA
SCHEMBL2255542 0.73 TDP1 (0.48) HPGDALDH1A1TDP1MAPTGAA
SCHEMBL2439065 0.72 GSR (0.47) TRPA1HPGDALDH1A1L3MBTL1RAB9A
SCHEMBL2439069 0.72 GSR (0.47) TRPA1HPGDALDH1A1L3MBTL1RAB9A
SCHEMBL812348 0.71 HPGD (0.37) HPGDALDH1A1MAPTGAASMN1; SMN2

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 TRPA1 2709/4885HPGD 868/4885ALDH1A1 1287/4885
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO TRPA1 1738/4885HPGD 205/4885ALDH1A1 71/4885
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 TRPA1 2445/4885HPGD 1701/4885ALDH1A1 354/4885
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 TRPA1 2445/4885HPGD 1701/4885ALDH1A1 354/4885

“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.