SCHEMBL16458302

SCHEMBL16458302

Clc1ccc(C[Se][Se]Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.52
▸ TSHR P16473 1/20 0.46
▸ DRD4 P21917 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GRIN2B Q13224 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ G6PC1 P35575 1/20 0.39

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
Bisbenzyldiselenide SCHEMBL441260 0.84 CYP1A1 (0.52) TSHRCYP1A2TDP1IDO1CYP1A1
Bisbenzyldiselenide SCHEMBL29169728 0.82 CYP1A1 (0.56) TSHRCYP1A2MAPTTDP1IDO1
SCHEMBL8196751 0.77 SIGMAR1 (0.58) SIGMAR1TSHRCYP1A2ALDH1A1MEN1
SCHEMBL196969 0.77 CALM1 (0.67) SIGMAR1TSHRCYP1A2L3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL18010564 0.75 CALM1 (0.63) SIGMAR1TSHRCYP1A2L3MBTL1MAPT
Hydrochloric Acid SCHEMBL7953567 0.75 CALM1 (0.63) SIGMAR1TSHRCYP1A2L3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL11188168 0.75 SIGMAR1 (0.56) SIGMAR1TSHRCYP1A2ALDH1A1MEN1
Bromide SCHEMBL7949095 0.75 CALM1 (0.63) SIGMAR1TSHRCYP1A2L3MBTL1MAPT
SCHEMBL28686781 0.74 IDO1 (0.50) SIGMAR1IDO1ALDH1A1MEN1KMT2A
SCHEMBL10812127 0.73 HTR2A (0.60) SIGMAR1MAPTALDH1A1MEN1KMT2A

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 SIGMAR1 2939/4885TSHR 2253/4885DRD4 2679/4885

“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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