SCHEMBL10001035

SCHEMBL10001035

Cc1cccc2c3ccccc3c3nccnc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CCR1 P32246 3/20 0.42
CCR8 P51685 3/20 0.42
CCR5 P51681 2/20 0.42
PSMD14 O00487 2/20 0.42
COPS5 Q92905 2/20 0.42
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 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
SCHEMBL16919884 0.89 L3MBTL1 (0.50) L3MBTL1NPC1HSP90AA1HTR1AADRA1D
SCHEMBL17007533 0.85 L3MBTL1 (0.50) L3MBTL1NPC1HSP90AA1HTR1AADRA1D
SCHEMBL3788007 0.84 CCR1 (0.50) L3MBTL1NPC1HSP90AA1HTR1AADRA1D
SCHEMBL24858850 0.83 PSMD14 (0.49) L3MBTL1NPC1HSP90AA1HTR1AADRA1D
SCHEMBL17007526 0.83 L3MBTL1 (0.48) L3MBTL1NPC1HSP90AA1HTR1AADRA1D
SCHEMBL21298469 0.81 L3MBTL1 (0.43) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL20384874 0.80 CCR1 (0.34) L3MBTL1NPC1HSP90AA1HTR1AADRA1D
SCHEMBL10025832 0.79 L3MBTL1 (0.44) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL13747898 0.79 GABRP (0.41) L3MBTL1NPC1PSMD14CYP2A6CYP1A2
SCHEMBL713323 0.78 L3MBTL1 (0.52) L3MBTL1NPC1HSP90AA1CCR1CCR8

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208026-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-02-19 US disclosed
EP-2252624-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2018-07-18 EP disclosed
EP-2991997-B1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LTD (IE) 2018-02-21 EP disclosed
EP-2802594-B1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-9601710-B2 Organic light-emitting diode with enhanced efficiency NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
US-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-09-24 US disclosed
US-20150076470-A1 Luminescent Cyclometallated Iridium (III) Complexes Having Acetylide Ligands UNIV SOUTHERN CALIFORNIA (US) 2015-03-19 US disclosed
US-20150076470-A1 Luminescent Cyclometallated Iridium (III) Complexes Having Acetylide Ligands UNIV SOUTHERN CALIFORNIA (US) 2015-03-19 US disclosed
US-8852755-B2 Oxadiazole metallic complexes and their electronic and opto-electronic applications MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8822042-B2 Luminescent cyclometallated iridium(III) complexes having acetylide ligands THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-09-02 US disclosed
US-20120007061-A1 Luminescent Cyclometallated Iridium(III) Complexes Having Acetylide Ligands THE UNIVERSITY OF SOUTHERN CALIFORNIA 2012-01-12 US disclosed
US-20120007061-A1 Luminescent Cyclometallated Iridium(III) Complexes Having Acetylide Ligands THE UNIVERSITY OF SOUTHERN CALIFORNIA 2012-01-12 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 (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-20120007061-A1 Luminescent Cyclometallated Iridium(III) Complexes Having Acetylide Ligands ACACA, SIRT3, ICOSLG L3MBTL1 2663/4885NPC1 4537/4885HSP90AA1 3943/4885
US-10208026-B2 Organic electroluminescent materials and devices ZYX, LBR, LOXL1 L3MBTL1 26/4885NPC1 2376/4885HSP90AA1 4879/4885
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ZYX, LBR, LOXL1 L3MBTL1 26/4885NPC1 2376/4885HSP90AA1 4879/4885

“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.