SCHEMBL2759445

SCHEMBL2759445

C=C(C)OC(=O)N1CCN(CC(=O)Nc2cc(C)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
EGFR P00533 2/20 0.46
GAA P10253 3/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 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
SCHEMBL210288 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2EGFRGAA
SCHEMBL210447 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2EGFRGAA
SCHEMBL2554483 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2EGFRHSD17B10
SCHEMBL16152464 0.72 CHRM2 (0.42) ALDH1A1KDM4ESMN1; SMN2EGFRTSHR
SCHEMBL2759473 0.72 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2EGFRHSD17B10
SCHEMBL13270161 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL17833337 0.70 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL13821478 0.68 KDM4E (0.40) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL15330725 0.67 L3MBTL1 (0.50) ALDH1A1KDM4ESMN1; SMN2EGFRHSD17B10
SCHEMBL12630133 0.66 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNA

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-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA ALDH1A1 3015/4885KDM4E 587/4885SMN1; SMN2 3132/4885

“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.