SCHEMBL5125309

SCHEMBL5125309

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.45
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.36
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
STING1 Q86WV6 1/20 0.35
PTPN1 P18031 1/20 0.35
CNR2 P34972 3/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL12049180 0.89 TNFRSF1A (0.43) TNFRSF1AMAPTPOLBCYP2C9HPGD
SCHEMBL12049182 0.81 TNFRSF1A (0.42) TNFRSF1AMAPTPOLBCYP2C9HPGD
SCHEMBL18978077 0.77 MAPK1 (0.39) HPGDLMNAMEN1NPC1RAB9A
SCHEMBL12049194 0.76 TNFRSF1A (0.51) TNFRSF1AMAPTPOLBCYP2C9HPGD
SCHEMBL6956109 0.74 PTPN1 (0.43) TNFRSF1AMAPTPOLBCYP2C9HPGD
SCHEMBL5456951 0.74 PTPN1 (0.43) TNFRSF1AMAPTPOLBCYP2C9HPGD
SCHEMBL5132570 0.72 MEN1 (0.42) MAPTPOLBHPGDLMNAMEN1
SCHEMBL5748574 0.72 MCL1 (0.41) MAPTHPGDLMNACNR2
SCHEMBL9971603 0.70 MAPT (0.41) TNFRSF1AMAPTPOLBCYP2C9HPGD
SCHEMBL841485 0.69 ACHE (0.33) MAPTMTNR1AMTNR1BSTING1

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 TNFRSF1A 2593/4885MAPT 2705/4885POLB 380/4885

“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.