SCHEMBL5864550

SCHEMBL5864550

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C(Cc2ccc(N)cc2)CN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
DPP4 P27487 1/20 0.35
PPARG P37231 1/20 0.34
CHIT1 Q13231 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FOLH1 Q04609 1/20 0.33
CNR1 P21554 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 2/20 0.32
LMNA P02545 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTR4 Q13639 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL23191925 1.00 PLA2G10 (0.37) PLA2G10PLA2G5DPP4PPARGCHIT1
SCHEMBL16021391 0.94 PLA2G10 (0.35) PLA2G10PLA2G5DPP4PPARGCHIT1
SCHEMBL9274528 0.90 PLA2G10 (0.38) PLA2G10PLA2G5DPP4PPARGCHRM2
SCHEMBL30823366 0.90 PLA2G10 (0.38) PLA2G10PLA2G5DPP4PPARGCHRM2
SCHEMBL27150526 0.89 PLA2G10 (0.37) PLA2G10PLA2G5DPP4FOLH1LMNA
SCHEMBL27145945 0.89 PLA2G10 (0.37) PLA2G10PLA2G5DPP4FOLH1LMNA
SCHEMBL27148332 0.86 HRH3 (0.38) PLA2G10PLA2G5DPP4FOLH1NR1H2
SCHEMBL27269591 0.86 MEN1 (0.43) LMNA
SCHEMBL27145948 0.86 HRH3 (0.38) PLA2G10PLA2G5DPP4FOLH1NR1H2
SCHEMBL27146106 0.86 S1PR1 (0.35) PLA2G10PLA2G5DPP4HRH3RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132513-B2 Bifunctional chelating agent EUROPEAN COMMUNITY (BE) 2006-11-07 US disclosed
US-20030027302-A1 Bifunctional chelating agent INSERM INSTITUT NATIOANL DE LA SANTE ET DE LA REOHERCHE MEDICALE (FR) 2003-02-06 US disclosed
EP-1263741-A1 BIFUNCTIONAL CHELATING AGENT EUROPEAN COMMUNITY (BE) 2002-12-11 EP disclosed
WO-2001068618-A1 BIFUNCTIONAL CHELATING AGENT EUROPEAN COMMUNITY (BE) 2001-09-20 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-20030027302-A1 Bifunctional chelating agent H1-2, H1-0, H1-5 PLA2G10 3469/4885PLA2G5 3098/4885DPP4 3126/4885

“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.