SCHEMBL6780378

SCHEMBL6780378

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
NR4A2 P43354 1/20 0.48
IDO1 P14902 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
APAF1 O14727 2/20 0.46
ALDH1A1 P00352 4/20 0.44
IMPDH2 P12268 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL6780376 1.00 KDM4E (0.55) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL12986273 0.83 KDM4E (0.56) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL18383119 0.79 NR4A2 (0.56) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL29579851 0.79 NR4A2 (0.56) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL19585950 0.79 KDM4E (0.52) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL6555702 0.78 NR4A2 (0.55) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL13203774 0.78 NR4A2 (0.55) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL2184960 0.78 NR4A2 (0.55) KDM4ENR4A2IDO1KMT2AMEN1
SCHEMBL6655810 0.76 IDO1 (0.53) KDM4EIDO1KMT2AMEN1APAF1
SCHEMBL6655804 0.76 IDO1 (0.53) KDM4EIDO1KMT2AMEN1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784323-B2 Enantioselective transformation of α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-08-31 US disclosed
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-06-12 US 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 KDM4E 2340/4885NR4A2 1104/4885IDO1 617/4885

“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.