SCHEMBL6655804

SCHEMBL6655804

C[C@H](CC=O)c1cn(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
IMPDH2 P12268 1/20 0.50
GPR84 Q9NQS5 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2A P28223 1/20 0.44
AHR P35869 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6655810 1.00 IDO1 (0.53) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL6648937 0.85 IDO1 (0.50) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL6648945 0.85 IDO1 (0.50) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL6658285 0.82 MEN1 (0.63) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL6658294 0.82 MEN1 (0.63) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL12534047 0.82 IDO1 (0.60) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL28346754 0.82 IDO1 (0.60) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL6786516 0.80 MEN1 (0.44) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL6783645 0.80 IDO1 (0.48) IDO1ALDH1A1KDM4EIMPDH2GPR84
SCHEMBL6786509 0.80 MEN1 (0.44) ALDH1A1KDM4EKMT2AMEN1NPC1

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-7683191-B2 Organic salts and method for producing chiral organic compounds Studiangesellschaft Kohle mbH (DE) 2010-03-23 US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 US disclosed
WO-2007098741-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2007-09-07 WO disclosed
EP-1412335-A4 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-11-17 EP disclosed
US-6784323-B2 Enantioselective transformation of α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-08-31 US disclosed
EP-1412335-A2 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-04-28 EP disclosed
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-06-12 US disclosed
WO-2003002491-A2 ENANTIOSELECTIVE TRANSFORMATION OF α, β-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-01-09 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 (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-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts ALDH1A1, GAR1, ALDH1B1 IDO1 617/4885ALDH1A1 1/4885KDM4E 2340/4885
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS ICMT, OTC, PNPO IDO1 163/4885ALDH1A1 814/4885KDM4E 1938/4885

“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.