SCHEMBL5479396

SCHEMBL5479396

COc1ccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
USP2 O75604 2/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 1/20 0.59
TP53 P04637 4/20 0.58
GAA P10253 7/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.48
KDM4E B2RXH2 7/20 0.48
HSD17B10 Q99714 4/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 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
SCHEMBL5329510 0.92 ALDH1A1 (0.57) ALDH1A1USP2MAPK1RAB9ATP53
SCHEMBL5340527 0.92 ALDH1A1 (0.60) ALDH1A1USP2MAPK1RAB9ATP53
SCHEMBL5477271 0.91 ALDH1A1 (0.65) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5335764 0.89 ALDH1A1 (0.66) ALDH1A1USP2MAPK1RAB9ATP53
SCHEMBL5333488 0.88 ALDH1A1 (0.64) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5333914 0.88 ALDH1A1 (0.66) ALDH1A1USP2MAPK1RAB9ATP53
SCHEMBL5332856 0.88 ALDH1A1 (0.74) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5339309 0.88 ALDH1A1 (0.60) ALDH1A1USP2MAPK1RAB9ATP53
SCHEMBL5476311 0.87 ALDH1A1 (0.64) ALDH1A1USP2MAPK1RAB9ATP53
SCHEMBL5333065 0.87 KDM4E (0.60) ALDH1A1USP2MAPK1RAB9ATP53

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 1488/4885USP2 4362/4885MAPK1 4425/4885

“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.