SCHEMBL649582

SCHEMBL649582

CC(C)Cc1cccc(-c2cccc(-c3ccccn3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
CTSS P25774 2/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 2/20 0.45
FFAR1 O14842 1/20 0.43
HIF1A Q16665 2/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
CYP2A6 P11509 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
CETP P11597 1/20 0.39
CNR1 P21554 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 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
SCHEMBL12435670 0.97 HRH3 (0.52) HRH3CTSSCTSLCTSBCTSK
SCHEMBL23420726 0.84 KDM4E (0.41) HRH3CTSSCTSLCTSBCTSK
SCHEMBL17234377 0.84 CTSS (0.40) HRH3CTSSCTSLCTSBCTSK
SCHEMBL2482401 0.83 HRH3 (0.54) HRH3CTSSCTSLCTSBCTSK
SCHEMBL18790906 0.82 ASIC3 (0.44) CTSSCTSLCTSBCTSKHTR1A
SCHEMBL3858509 0.82 PDCD1 (0.43) CTSSCTSLCTSBCTSKHTR1A
SCHEMBL16631405 0.82 CTSS (0.41) HRH3CTSSCTSLCTSBCTSK
SCHEMBL1733171 0.81 HRH3 (0.52) HRH3CTSSCTSLCTSBFFAR1
SCHEMBL25463230 0.81 CTSS (0.41) HRH3CTSSCTSLCTSBCTSK
SCHEMBL21506994 0.80 KDM4E (0.59) HRH3HIF1ACYP2A6HTR1AHTR7

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 US disclosed
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 US disclosed
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
WO-2015012618-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-01-29 WO disclosed
WO-2014196805-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-12-11 WO disclosed
US-20140284585-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2014-09-25 US disclosed
US-20140284585-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2014-09-25 US disclosed
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION 2009-05-14 US disclosed
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION 2009-05-14 US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 WO disclosed
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 WO 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 (3 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-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES CRY1, LAGE3, CRY2 HRH3 4035/4885CTSS 4063/4885CTSL 4421/4885
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same MTCL3, LIG4, L1CAM HRH3 3002/4885CTSS 4175/4885CTSL 2847/4885
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS PAICS, ITPA, MPI HRH3 2286/4885CTSS 4213/4885CTSL 4373/4885

“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.