SCHEMBL5481053

SCHEMBL5481053

COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC1CCCC1)C2c1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.71
GAA P10253 6/20 0.71
MAPT P10636 5/20 0.71
CASP1 P29466 5/20 0.71
ALOX15 P16050 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
USP2 O75604 3/20 0.70
TP53 P04637 3/20 0.70
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.49
CASP7 P55210 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
IDH1 O75874 2/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL5475291 0.92 ALDH1A1 (0.68) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5328258 0.86 ALDH1A1 (0.68) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5335202 0.86 ALDH1A1 (0.83) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5478793 0.86 GAA (0.66) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5480557 0.85 ALDH1A1 (0.70) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5337433 0.85 ALDH1A1 (0.82) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5332577 0.84 ALDH1A1 (0.68) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5479373 0.84 ALDH1A1 (0.72) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5333531 0.84 ALDH1A1 (0.69) ALDH1A1GAAMAPTCASP1ALOX15
SCHEMBL5335812 0.83 ALDH1A1 (0.71) ALDH1A1GAAMAPTCASP1ALOX15

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 1488/4885GAA 3421/4885MAPT 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.