SCHEMBL809583

SCHEMBL809583

CCC(=O)[C@@H](C)ONc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
MAPT P10636 2/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KLK7 P49862 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL812579 1.00 GAA (0.41) GAAMAPTHDAC3HDAC4HDAC1
SCHEMBL943432 0.80 HSD17B10 (0.45) GAAMAPTHDAC3HDAC4HDAC1
SCHEMBL942242 0.79 GAA (0.46) GAAMAPTSMN1; SMN2MMEACE
SCHEMBL942241 0.77 GAA (0.41) GAAMAPTHDAC3HDAC4HDAC1
SCHEMBL10204793 0.73 GAA (0.53) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL942415 0.72 TSHR (0.43) GAAMAPTSMN1; SMN2MMEACE
SCHEMBL5531985 0.72 KLK7 (0.46) GAAMAPTMMEACEALDH1A1
SCHEMBL2257955 0.72 TDP1 (0.41) GAAMAPTSMN1; SMN2MMEACE
SCHEMBL5049185 0.71 MAPT (0.46) GAAMAPTHDAC3HDAC4HDAC1
SCHEMBL10697600 0.71 TDP1 (0.44) GAAMAPTSMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (2 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 GAA 4167/4885MAPT 4442/4885HDAC3 933/4885
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO GAA 1631/4885MAPT 3985/4885HDAC3 3258/4885

“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.