SCHEMBL22255356

SCHEMBL22255356

c1ccc(-c2cccc3cc(-c4ccc(N(c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5)c5cccc6sc7ccccc7c56)cc4)ccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
SLC9A1 P19634 2/20 0.33
S1PR5 Q9H228 5/20 0.32
S1PR4 O95977 4/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MPI P34949 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A9 P48067 1/20 0.31

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
SCHEMBL21214857 0.97 F9 (0.38) F9CA12CA1CA2CA9
SCHEMBL22255358 0.97 F9 (0.38) F9CA12CA1CA2CA9
SCHEMBL21203628 0.97 F9 (0.38) F9CA12CA1CA2CA9
SCHEMBL21214855 0.96 F9 (0.40) F9CA12CA1CA2CA9
SCHEMBL22255363 0.96 F9 (0.40) F9CA12CA1CA2CA9
SCHEMBL22255364 0.96 F9 (0.38) F9CA12CA1CA2CA9
SCHEMBL22255359 0.94 F9 (0.36) F9CA12CA1CA2CA9
SCHEMBL22255571 0.94 S1PR5 (0.38) F9CA12CA1CA2CA9
SCHEMBL22255673 0.94 KDM4E (0.34) F9CA12CA1CA2CA9
SCHEMBL22255324 0.94 S1PR5 (0.35) F9CA12CA1CA2CA9

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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA F9 2570/4885CA12 4498/4885CA1 4298/4885

“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.