SCHEMBL13367288

SCHEMBL13367288

CCCCOc1c(C(=O)O)ccn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
PLA2G4B P0C869 2/20 0.40
PTPN11 Q06124 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RARB P10826 5/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
RARA P10276 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL15613744 0.87 THRA (0.38) CNR2TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL15613740 0.86 TSHR (0.53) TP53TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL16644656 0.82 RARB (0.42) CNR2TP53TSHRPLA2G4BPTPN11
SCHEMBL12697313 0.79 TSHR (0.51) CNR2TP53TSHRPLA2G4BPTPN11
SCHEMBL15959660 0.79 NOTUM (0.53) TSHRKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL2240565 0.78 HPGD (0.44) NPC1ALDH1A1SMN1; SMN2
SCHEMBL14829178 0.78 MAPT (0.46) TP53KDM4EALDH1A1TDP1
SCHEMBL13367279 0.77 CNR2 (0.39) CNR2TSHRALDH1A1SMN1; SMN2
SCHEMBL17980842 0.76 TSHR (0.53) TP53TSHRPLA2G4BPTPN11KDM4E
Hydrazine SCHEMBL3431213 0.75 MAPT (0.44) TP53KDM4EALDH1A1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439984-B2 Macrocycles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-13 US disclosed
US-20150157746-A1 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 US disclosed
WO-2013187971-A2 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-12-19 WO disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
WO-2007121453-A2 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-25 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-20150157746-A1 MACROCYCLES SLC39A14, SLC39A3, SLC40A1 CNR2 3216/4885TP53 890/4885TSHR 559/4885

“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.