SCHEMBL12060741

SCHEMBL12060741

COc1cc(OC)c(-c2cc(CN(CC=O)CC=O)nc(CN(CCCCCCO)Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(CN(CC(=O)O)CC(=O)O)n3)c2)c(OC)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
CD274 Q9NZQ7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL878934 0.98 PPARG (0.32) PPARGPPARACD274KDM4EALDH1A1
SCHEMBL862173 0.93 PPARG (0.35) PPARGPPARACD274KDM4EALDH1A1
SCHEMBL12060501 0.86 APP (0.33)
SCHEMBL878957 0.85 APP (0.33)
SCHEMBL862172 0.79 APP (0.34)
SCHEMBL862561 0.79 PPARG (0.33) PPARGPPARA
SCHEMBL4496064 0.75 APP (0.35) PPARGPPARAKDM4EALDH1A1TSHR
SCHEMBL841485 0.73 ACHE (0.33) KDM4ETSHRHTT
SCHEMBL862393 0.73 BCHE (0.35) PPARGPPARAKDM4ETSHR
SCHEMBL8548578 0.69 CTSA (0.45) KDM4EALDH1A1

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-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 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-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 PPARG 4192/4885PPARA 3164/4885CD274 1321/4885

“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.