SCHEMBL7558683

SCHEMBL7558683

COC(=O)c1ccc(C(=O)c2ccc3cc(OC)ccc3c2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
MAPK1 P28482 1/20 0.49
HRH1 P35367 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
NPC1 O15118 2/20 0.48
KMT2A Q03164 2/20 0.47
PLA2G2A P14555 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL7560673 0.88 KDM4E (0.60) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL7558808 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL7558686 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL7560916 0.81 SMYD3 (0.52) KDM4EALDH1A1HPGDLMNASLC6A2
SCHEMBL9039778 0.79 MTNR1A (0.52) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7558803 0.78 CA1 (0.65) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL1856468 0.77 KDM4E (0.70) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL7560679 0.77 KDM4E (0.57) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL7560635 0.77 KDM4E (0.66) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL11810869 0.77 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAHTT

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-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
WO-2001051095-A2 PARAMAGNETIC DOTA DERIVATIVES, PHARMACEUTICAL AGENTS CONTAINING THE SAME, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE FOR THE MR IMAGING OF NECROSIS AND INFARCTION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 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-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 2293/4885ALDH1A1 3405/4885HPGD 58/4885

“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.