SCHEMBL5481848

SCHEMBL5481848

CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(C)o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
KDM4E B2RXH2 8/20 0.73
MAPT P10636 6/20 0.73
USP2 O75604 4/20 0.73
HSD17B10 Q99714 3/20 0.73
TP53 P04637 3/20 0.73
HPGD P15428 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
TSHR P16473 1/20 0.72
CASP1 P29466 6/20 0.58
GAA P10253 5/20 0.58
HTT P42858 1/20 0.57
CASP7 P55210 1/20 0.57
MAPK1 P28482 3/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5336241 0.90 ALDH1A1 (0.82) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5328316 0.90 ALDH1A1 (0.79) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5485118 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5342855 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5328188 0.86 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5331912 0.85 KDM4E (0.84) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5334058 0.84 KDM4E (0.57) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5480557 0.79 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5335812 0.77 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTUSP2HSD17B10
SCHEMBL5332496 0.77 ALDH1A1 (0.83) ALDH1A1KDM4EMAPTUSP2HSD17B10

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-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 ALDH1A1 1488/4885KDM4E 4033/4885MAPT 4656/4885

“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.