SCHEMBL16787172

SCHEMBL16787172

c1ccc(N(c2ccc(-c3cccc4c3Sc3ccccc3S4)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TNF P01375 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
SCHEMBL17485924 0.99 ALOX5 (0.35) ALOX5SIGMAR1CA12CA1CA2
SCHEMBL16787199 0.96 ALOX5 (0.35) ALOX5SIGMAR1CA12CA1CA2
SCHEMBL16166533 0.95 ALOX5 (0.38) ALOX5SIGMAR1CA12CA1CA2
SCHEMBL16787239 0.86 ALOX5 (0.36) ALOX5
SCHEMBL17740514 0.86 SIGMAR1 (0.43) SIGMAR1CA12CA1CA2CA9
SCHEMBL16787180 0.85 SIGMAR1 (0.33) SIGMAR1
SCHEMBL16166382 0.85 ALOX5 (0.44) ALOX5HDAC6
SCHEMBL17470350 0.85 SIGMAR1 (0.42) SIGMAR1CA12CA1CA2CA9
SCHEMBL16166768 0.85 ALOX5 (0.44) ALOX5HDAC6
SCHEMBL16166632 0.85 ALOX5 (0.42) ALOX5SIGMAR1

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 344/4885SIGMAR1 794/4885CA12 3330/4885

“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.