SCHEMBL13005278

SCHEMBL13005278

CC(C)(C)OOC(=O)Cc1ccc([I+]c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.43
▸ PSEN1 P49768 3/20 0.39
▸ PSEN2 P49810 3/20 0.39
▸ APH1B Q8WW43 3/20 0.39
▸ NCSTN Q92542 3/20 0.39
▸ APH1A Q96BI3 3/20 0.39
▸ PSENEN Q9NZ42 3/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PLA2G4B P0C869 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL13098233 0.82 PSEN1 (0.38) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL794933 0.80 PTPN1 (0.51) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12289042 0.80 PTGS2 (0.47) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12687790 0.79 SMN1; SMN2 (0.54) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12697638 0.77 PLA2G4B (0.56) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL13141369 0.77 PTPN1 (0.50) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12556799 0.77 PSEN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL23599303 0.76 PTPN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL198467 0.75 PTPN1 (0.60) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL13120267 0.75 PSEN1 (0.40) PTPN1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324329-A1 COMPOUND JSR CORPORATION (JP) 2010-12-23 — — 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-20100324329-A1 COMPOUND AFF2, AFF1, AFF4 PTPN1 3434/4885PSEN1 3513/4885PSEN2 2844/4885

“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.

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