SCHEMBL7558052

SCHEMBL7558052

CN(C)c1ccc2cc(C(=O)c3ccccc3C(=O)O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.57
CDC25A P30304 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
AKR1C3 P42330 3/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.48
NR4A1 P22736 1/20 0.47
SLC16A3 O15427 1/20 0.46
ACHE P22303 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
SCHEMBL701316 0.84 HPGD (0.70) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL9210385 0.83 POLB (0.64) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL7828608 0.82 CDC25B (0.70) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL7558044 0.81 HPGD (0.58) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL2701032 0.81 KDM4E (0.55) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL29717125 0.81 KDM4E (0.55) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL10658386 0.79 ALDH1A1 (0.54) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL9218197 0.78 HPGD (0.61) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL9314585 0.78 KDM4E (0.62) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL7560635 0.78 KDM4E (0.66) CDC25BCDC25AHSD17B10ALDH1A1KDM4E

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 CDC25B 4031/4885CDC25A 4078/4885HSD17B10 2844/4885

“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.