SCHEMBL4499535

SCHEMBL4499535

CCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.64
KDM4E B2RXH2 13/20 0.64
HPGD P15428 10/20 0.64
GLA P06280 7/20 0.64
CASP1 P29466 7/20 0.64
HSD17B10 Q99714 7/20 0.64
CASP7 P55210 3/20 0.64
GAA P10253 9/20 0.63
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
THRB P10828 1/20 0.58
CYP1A2 P05177 1/20 0.57
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53

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
SCHEMBL4499539 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL4258170 0.89 KMT2A (0.57) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL3494629 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL3494627 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL4254040 0.87 KMT2A (0.55) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL4254038 0.87 KMT2A (0.55) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL23654139 0.86 KMT2A (0.61) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL10258380 0.85 KMT2A (0.53) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL21467195 0.84 KMT2A (0.59) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL3494576 0.84 KMT2A (0.62) ALDH1A1KDM4EHPGDGLACASP1

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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ALDH1A1 212/4885KDM4E 1062/4885HPGD 1346/4885

“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.