SCHEMBL16787199

SCHEMBL16787199

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Sc4ccccc4S5)cc3)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TNF P01375 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CRHR1 P34998 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16787172 0.96 ALOX5 (0.36) ALOX5CA12CA1CA2CA9
SCHEMBL17485924 0.95 ALOX5 (0.35) ALOX5CA12CA1CA2CA9
SCHEMBL16166533 0.94 ALOX5 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL16787108 0.88 SIGMAR1 (0.33) SIGMAR1L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16385671 0.87 CA12 (0.41) CA12CA1CA2CA9TNF
SCHEMBL29453908 0.87 CA12 (0.41) CA12CA1CA2CA9TNF
SCHEMBL16787202 0.85 SIGMAR1 (0.30) SIGMAR1
SCHEMBL17811581 0.85 SIGMAR1 (0.41) CA12CA1CA2CA9TNF
SCHEMBL16786685 0.85 ALOX5 (0.43) ALOX5MAPTTDP1L3MBTL1KDM4E
SCHEMBL16787200 0.84 SIGMAR1 (0.30) SIGMAR1

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-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 US disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 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-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, ODC1, OR51E2 ALOX5 344/4885CA12 3330/4885CA1 3046/4885

“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.