SCHEMBL19960904

SCHEMBL19960904

CCN(CC)c1cc(Br)cc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.43
ALDH1A1 P00352 11/20 0.41
MAPK1 P28482 6/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
RECQL P46063 2/20 0.41
PSMD14 O00487 1/20 0.41
GFER P55789 1/20 0.41
TERT O14746 1/20 0.40
GBA1 P04062 1/20 0.39
ALDH1A3 P47895 2/20 0.38
ALDH3A1 P30838 1/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL19960884 0.95 S100B (0.43) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL14283536 0.80 ALDH1A1 (0.50) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL3753113 0.80 MEN1 (0.37) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL5287657 0.77 ADRA2A (0.35) ALDH1A1KDM4E
SCHEMBL7896008 0.77 ALDH1A1 (0.59) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL21839787 0.75 NOTUM (0.51) ALDH1A1MAPK1L3MBTL1TSHRTDP1
SCHEMBL30665750 0.75 SMN1; SMN2 (0.53) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL748189 0.75 SMN1; SMN2 (0.53) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL381900 0.74 ALDH1A1 (0.58) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL27706402 0.72 S100B (0.42) S100BALDH1A1TSHRGBA1ALDH1A3

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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-03-15 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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 S100B 1907/4885ALDH1A1 493/4885MAPK1 108/4885

“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.