SCHEMBL7560679

SCHEMBL7560679

COc1ccc2cc(C(=O)c3c(C(=O)O)ccc4ccccc34)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
CDC25B P30305 2/20 0.53
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ABCG2 Q9UNQ0 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 2/20 0.48
PGR P06401 1/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL7558686 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL7560673 0.86 KDM4E (0.60) KDM4ECDC25BALDH1A1HPGDNPC1
SCHEMBL7560635 0.82 KDM4E (0.66) KDM4ECDC25BALDH1A1HPGDNPC1
SCHEMBL7459910 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8638246 0.79 PTPN1 (0.59) KDM4ECDC25BALDH1A1HPGDNPC1
SCHEMBL7024975 0.79 WDR5 (0.54) KDM4ECDC25BALDH1A1HPGDLMNA
SCHEMBL7708564 0.78 KDM4E (0.69) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL12486587 0.78 WDR5 (0.61) KDM4ECDC25BALDH1A1HPGDNPC1
SCHEMBL7449750 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL7558683 0.77 KDM4E (0.51) KDM4EALDH1A1HPGDNPC1RAB9A

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-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction SCHERING AG 2002-05-02 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-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction TNNI3, NPR1, LPXN KDM4E 2293/4885CDC25B 4031/4885ALDH1A1 3405/4885

“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.