SCHEMBL5331530

SCHEMBL5331530

COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)C3c2cccc(O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 8/20 0.48
HSD17B10 Q99714 6/20 0.48
HPGD P15428 5/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 8/20 0.48
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
USP2 O75604 2/20 0.47
MAPK1 P28482 2/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 5/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3324542 0.95 TP53 (0.51) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL5336759 0.92 KDM4E (0.48) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL5329510 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL12932104 0.89 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL28034575 0.88 KDM4E (0.55) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL3323519 0.88 KDM4E (0.57) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL5330564 0.87 KDM4E (0.48) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL30938417 0.87 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL30938440 0.87 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL31634776 0.87 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDCASP1

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 ALDH1A1 1488/4885KDM4E 4033/4885HSD17B10 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.