SCHEMBL7558044

SCHEMBL7558044

CN(C)c1ccc2cc(C(=O)c3ccc(C(=O)O)cc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
SRD5A2 P31213 7/20 0.50
ACHE P22303 1/20 0.49
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
CYP26A1 O43174 1/20 0.47
RARA P10276 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
KDM4E B2RXH2 1/20 0.45
SLC16A3 O15427 1/20 0.43
CNR2 P34972 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43

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
SCHEMBL2701032 0.90 KDM4E (0.55) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL29717125 0.90 KDM4E (0.55) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL18288087 0.84 NPC1 (0.51) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL7558052 0.81 CDC25B (0.57) HPGDALDH1A1NPC1RAB9APOLB
Benzophenone SCHEMBL28424466 0.79 HPGD (0.89) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL34895 0.79 MAPT (0.53) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL30898565 0.79 MAPT (0.53) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL6113239 0.79 MAPT (0.61) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL33368 0.78 NPC1 (0.77) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL30504311 0.77 LCK (0.56) HPGDALDH1A1MAPTNPC1RAB9A

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 HPGD 58/4885ALDH1A1 3405/4885MAPT 4190/4885

“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.