SCHEMBL5333065

SCHEMBL5333065

COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)C3c2cccs2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
POLB P06746 4/20 0.60
LMNA P02545 4/20 0.60
AGTR1 P30556 1/20 0.60
HSD17B10 Q99714 9/20 0.59
ALDH1A1 P00352 8/20 0.59
CASP1 P29466 3/20 0.59
CASP7 P55210 3/20 0.59
HPGD P15428 3/20 0.59
USP2 O75604 4/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
TP53 P04637 4/20 0.56
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 3/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL5309983 0.92 KDM4E (0.68) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5331957 0.92 KDM4E (0.61) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5475535 0.90 KDM4E (0.67) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5476396 0.90 KDM4E (0.68) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5418505 0.89 KDM4E (0.76) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5331860 0.89 KDM4E (0.61) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5339096 0.89 KDM4E (0.63) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5332407 0.89 KDM4E (0.68) KDM4EPOLBLMNAAGTR1HSD17B10
SCHEMBL5479396 0.87 ALDH1A1 (0.59) KDM4EPOLBLMNAHSD17B10ALDH1A1
SCHEMBL5332933 0.87 KDM4E (0.62) KDM4EPOLBLMNAAGTR1HSD17B10

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 4033/4885POLB 3870/4885LMNA 2421/4885

“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.