SCHEMBL5333713

SCHEMBL5333713

COc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)C2c1ccsc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.65
ALDH1A1 P00352 12/20 0.65
HSD17B10 Q99714 9/20 0.65
CASP1 P29466 8/20 0.65
CASP7 P55210 7/20 0.65
HPGD P15428 7/20 0.65
LMNA P02545 2/20 0.65
POLB P06746 3/20 0.60
USP2 O75604 3/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GLA P06280 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AGTR1 P30556 1/20 0.46
TP53 P04637 2/20 0.45

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
SCHEMBL5334804 0.93 KDM4E (0.74) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL30938437 0.88 KDM4E (0.62) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL5474861 0.88 KDM4E (0.62) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL30938393 0.88 KDM4E (0.62) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL12961817 0.88 KDM4E (0.62) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL5471435 0.85 KDM4E (0.60) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL5334458 0.83 KDM4E (0.60) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL12932116 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL12932120 0.82 KDM4E (0.56) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL12932115 0.81 KDM4E (0.56) KDM4EALDH1A1HSD17B10CASP1CASP7

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 1488/4885HSD17B10 3999/4885

“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.