SCHEMBL16459846

SCHEMBL16459846

O=[N+]([O-])c1ccc(C[Se][Se]Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.56
▸ LMNA P02545 2/20 0.56
▸ PTPRF P10586 1/20 0.54
▸ PTPN2 P17706 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ PTPN11 Q06124 1/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.52
▸ CRHBP P24387 3/20 0.51
▸ CRHR2 Q13324 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL267666 0.82 ALDH1A1 (0.70) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL13946243 0.82 CYP1A2 (0.67) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL27583120 0.79 ALDH1A1 (0.65) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL31225083 0.78 CYP1A2 (0.57) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL1041853 0.77 MEN1 (0.69) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL19621588 0.77 IDO1 (0.61) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL3161760 0.77 CRHBP (0.65) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL1163877 0.77 SIGMAR1 (0.65) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
SCHEMBL16699713 0.77 CRHBP (0.65) CYP1A2CYP2C19ALDH1A1LMNAPTPRF
Bicarbonate SCHEMBL30096531 0.77 ALDH1A1 (0.64) CYP1A2CYP2C19ALDH1A1LMNAPTPRF

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-9133156-B2 Method for preparing selenyl-substituted aromatic aldehyde compounds SEJONG UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2015-09-15 — — US disclosed
US-20140012021-A1 NOVEL METHOD FOR PREPARING SELENYL-SUBSTITUTED AROMATIC ALDEHYDE COMPOUNDS SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2014-01-09 — — 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-20140012021-A1 NOVEL METHOD FOR PREPARING SELENYL-SUBSTITUTED AROMATIC ALDEHYDE COMPOUNDS SELENOI, SCLY, AOX1 CYP1A2 1552/4885CYP2C19 3066/4885ALDH1A1 20/4885

“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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