SCHEMBL5333546

SCHEMBL5333546

COc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCC1CCCO1)C2c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.62
ALDH1A1 P00352 13/20 0.62
HPGD P15428 6/20 0.62
HSD17B10 Q99714 6/20 0.62
CASP1 P29466 4/20 0.62
CASP7 P55210 4/20 0.62
USP2 O75604 3/20 0.62
GLA P06280 2/20 0.62
TP53 P04637 2/20 0.62
ALOX15 P16050 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.60
AGTR1 P30556 1/20 0.60
GAA P10253 3/20 0.59
TSHR P16473 4/20 0.56
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 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
SCHEMBL30938463 1.00 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL30938428 0.88 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL5338304 0.86 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL31634787 0.85 GAA (0.67) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL30938456 0.85 GAA (0.67) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL5312740 0.85 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL30938374 0.85 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL30938454 0.85 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL5330953 0.85 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL5334424 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10CASP1

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-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO 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 KDM4E 4033/4885ALDH1A1 1488/4885HPGD 675/4885

“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.