SCHEMBL7795152

SCHEMBL7795152

COC(=O)C(=Cc1ccc(OC)cc1C(N)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HDAC8 Q9BY41 1/20 0.33
GLO1 Q04760 3/20 0.33
LMNA P02545 2/20 0.33
EPHX2 P34913 1/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 2/20 0.33
PPARA Q07869 1/20 0.33
LY96 Q9Y6Y9 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL6422006 0.77 ALDH1A1 (0.37) KDM4ENPC1RAB9AHDAC8LMNA
SCHEMBL6422010 0.77 ALDH1A1 (0.37) KDM4ENPC1RAB9AHDAC8LMNA
SCHEMBL7795166 0.70 EPHX2 (0.38) EPHX2ALDH1A1
SCHEMBL7934147 0.69 GSK3B (0.50) KDM4ENPC1RAB9AHDAC8GLO1
SCHEMBL7617840 0.69 GSK3B (0.50) KDM4ENPC1RAB9AHDAC8GLO1
SCHEMBL26565527 0.69 HPGD (0.40) KDM4EHDAC8LMNAMAPTLY96
SCHEMBL9023562 0.67 ALDH1A1 (0.55) KDM4EGLO1LMNAMAPTALDH1A1
Benzene SCHEMBL27424700 0.67 ALDH1A1 (0.55) KDM4EGLO1LMNAMAPTALDH1A1
SCHEMBL9023565 0.67 ALDH1A1 (0.55) KDM4EGLO1LMNAMAPTALDH1A1
SCHEMBL25653166 0.66 ALDH1A1 (0.41) KDM4ENPC1RAB9ALMNAMAPT

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-20010014737-A1 Vitronectin receptor antagonist HEERDING DIRK (US) 2001-08-16 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-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL KDM4E 4754/4885NPC1 1170/4885RAB9A 1830/4885

“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.