SCHEMBL13098233

SCHEMBL13098233

C=C(OOC(C)(C)C)Oc1ccc([I+]c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.38
▸ PSEN2 P49810 3/20 0.38
▸ APH1B Q8WW43 3/20 0.38
▸ NCSTN Q92542 3/20 0.38
▸ APH1A Q96BI3 3/20 0.38
▸ PSENEN Q9NZ42 3/20 0.38
▸ PTPN1 P18031 3/20 0.38
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SYK P43405 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 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
SCHEMBL12228667 0.86 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13005278 0.82 PTPN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13098203 0.82 PTPN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13005265 0.82 PTPN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12289042 0.79 PTGS2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL794933 0.79 PTPN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12556799 0.76 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13120267 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10175752 0.74 ELANE (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10204754 0.72 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440384-B2 Compound, salt, and radiation-sensitive resin composition JSR CORPORATION (JP) 2013-05-14 — — US disclosed
US-20100255420-A1 RADIATION SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2010-10-07 — — US disclosed
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-09-02 — — 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-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION AFF1, RER1, AFF4 PSEN1 2442/4885PSEN2 3565/4885APH1B 4399/4885

“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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