SCHEMBL6658285

SCHEMBL6658285

Cn1cc([C@@H](CC=O)c2ccccc2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 1/20 0.63
POLB P06746 1/20 0.63
KDM4E B2RXH2 1/20 0.51
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 2/20 0.47
IMPDH2 P12268 1/20 0.47
SRC P12931 2/20 0.44
AKT1 P31749 2/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT2 P31751 1/20 0.44
RPS6KA3 P51812 1/20 0.44
LIMK1 P53667 1/20 0.44
PRKCD Q05655 1/20 0.44

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
SCHEMBL6658294 1.00 MEN1 (0.63) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL6655804 0.82 IDO1 (0.53) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL6655810 0.82 IDO1 (0.53) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL13800038 0.79 KDM4E (0.70) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL6648945 0.79 IDO1 (0.50) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL6648937 0.79 IDO1 (0.50) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL16154384 0.78 MEN1 (0.60) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL6783645 0.77 IDO1 (0.48) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL6783653 0.77 IDO1 (0.48) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL18288173 0.77 MEN1 (1.00) MEN1KMT2ANPC1POLBKDM4E

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 MEN1 3230/4885KMT2A 794/4885NPC1 2972/4885

“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.