SCHEMBL7564684

SCHEMBL7564684

COC(=O)C1CCC(C(=O)c2ccc(OC)c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.55
KMT2A Q03164 4/20 0.53
HPGDS O60760 1/20 0.50
CDC25B P30305 2/20 0.49
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
STAT6 P42226 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7559790 0.87 KMT2A (0.68) PLK1KMT2AHPGDSCDC25BMAPT
SCHEMBL11364882 0.83 HTR3E (0.53) PLK1KMT2AHPGDSCDC25BMAPT
SCHEMBL2166462 0.82 PIN1 (0.52) KMT2AMAPTALDH1A1LMNARAB9A
SCHEMBL7561011 0.80 KMT2A (0.46) PLK1KMT2AHPGDSMAPTHPGD
SCHEMBL7558024 0.75 NPC1 (0.52) KMT2AALDH1A1LMNAHTTMEN1
SCHEMBL24101354 0.74 PLK1 (0.70) PLK1KMT2AHPGDSCDC25BMAPT
SCHEMBL4609870 0.74 PIN1 (0.59) KMT2AMAPTALDH1A1NPSR1LMNA
SCHEMBL2166124 0.74 GAA (0.45) KMT2AMAPTHPGDALDH1A1HSD17B10
SCHEMBL2538030 0.74 GAA (0.45) KMT2AMAPTHPGDALDH1A1HSD17B10
SCHEMBL7812083 0.72 NPC1 (0.51) KMT2AMAPTHPGDALDH1A1CYP1A2

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 PLK1 2981/4885KMT2A 3220/4885HPGDS 55/4885

“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.