SCHEMBL4453744

SCHEMBL4453744

COc1ccc(/C=C/C(=O)O)c(C)c1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.39
SNCA P37840 2/20 0.39
PKM P14618 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 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
SCHEMBL21722545 0.84 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5160528 0.83 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6276087 0.80 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2434694 0.78 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2434683 0.78 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9576945 0.78 PPARA (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2723804 0.76 PKM (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2723800 0.76 PKM (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2438320 0.75 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2438322 0.75 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. 2009-08-13 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-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS SMCHD1, SMC1A, SI KDM4E 3622/4885ALDH1A1 1213/4885SMN1; SMN2 73/4885

“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.