SCHEMBL5129451

SCHEMBL5129451

COc1cc(OCC(=O)O)cc(OC)c1-c1cc(C(=O)O)nc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.43
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCL1 Q07820 1/20 0.38
MIF P14174 1/20 0.38
PTPRB P23467 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12049218 0.89 KDM4E (0.42) KDM4ELMNACNR2POLBSMN1; SMN2
SCHEMBL10387678 0.85 LMNA (0.49) KDM4ELMNACNR2SMN1; SMN2GPR35
SCHEMBL5128878 0.81 MEN1 (0.49) KDM4ELMNAPOLBSMN1; SMN2ALOX15
SCHEMBL5131193 0.79 CNR2 (0.49) KDM4ELMNACNR2GPR35ALOX15
SCHEMBL12060498 0.78 PPARD (0.36) KDM4ELMNAPOLBSMN1; SMN2HPGD
SCHEMBL5738697 0.77 LMNA (0.42) KDM4ELMNACNR2GPR35ALOX15
SCHEMBL5748574 0.76 MCL1 (0.41) KDM4ELMNACNR2GPR35ALOX15
SCHEMBL12049195 0.74 LMNA (0.54) KDM4ELMNAPOLBSMN1; SMN2ALOX15
SCHEMBL4635027 0.74 LMNA (0.54) KDM4ELMNAPOLBSMN1; SMN2ALOX15
SCHEMBL12049182 0.74 TNFRSF1A (0.42) LMNACNR2POLBHPGDMEN1

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 KDM4E 3409/4885LMNA 4270/4885CNR2 4157/4885

“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.