SCHEMBL6648945

SCHEMBL6648945

CC(C)C(CC=O)c1cn(C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 5/20 0.47
IMPDH2 P12268 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6648937 1.00 IDO1 (0.50) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL6655810 0.85 IDO1 (0.53) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL6655804 0.85 IDO1 (0.53) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL6658294 0.79 MEN1 (0.63) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL6658285 0.79 MEN1 (0.63) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL6783645 0.77 IDO1 (0.48) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL6783653 0.77 IDO1 (0.48) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL24723378 0.76 ALDH1A1 (0.54) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL21245446 0.76 IDO1 (0.47) IDO1KDM4EALDH1A1IMPDH2KMT2A
SCHEMBL6780378 0.74 KDM4E (0.55) IDO1KDM4EALDH1A1IMPDH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 617/4885KDM4E 2340/4885ALDH1A1 1/4885

“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.