SCHEMBL12450336

SCHEMBL12450336

c1ccc2c(c1)c1ccccc1c1cc(-c3ccon3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MDM2 Q00987 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAAA Q02083 1/20 0.33
PLCG2 P16885 1/20 0.32
TDO2 P48775 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
SCHEMBL27569703 0.77 NPC1 (0.65) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL29696597 0.77 NPC1 (0.65) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL4059081 0.76 CYP1A2 (0.57) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL2409954 0.75 MDM2 (0.49) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL139209 0.74 MDM2 (0.51) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL27402049 0.74 MDM2 (0.45) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL8524430 0.73 MDM2 (0.50) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL17115688 0.71 MEN1 (0.52) RAB9ACYP1A2KDM4EMAPTMEN1
SCHEMBL4133589 0.71 HPRT1 (0.45) CYP1A2CYP2C9CYP2C19HPGDTSHR
SCHEMBL29840623 0.71 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2D6CYP19A1

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-9522895-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs UDC IRELAND LIMITED (IE) 2016-12-20 US disclosed
US-9522895-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs UDC IRELAND LIMITED (IE) 2016-12-20 US disclosed
US-20130231489-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2013-09-05 US disclosed
US-20130231489-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2013-09-05 US disclosed
US-8455112-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs BASF SE (DE) 2013-06-04 US disclosed
US-8455112-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs BASF SE (DE) 2013-06-04 US disclosed
EP-2134807-B1 IRIDIUM-TRIPHENYLENE COMPLEXES AND THEIR USE IN OLEDS BASF SE (DE) 2011-08-31 EP disclosed
US-20100127215-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2010-05-27 US disclosed
US-20100127215-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2010-05-27 US disclosed
US-20100109515-A1 OLED WITH METAL COMPLEXES HAVING A HIGH QUANTUM EFFICIENCY KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2010-05-06 US disclosed
US-20100109515-A1 OLED WITH METAL COMPLEXES HAVING A HIGH QUANTUM EFFICIENCY KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2010-05-06 US disclosed
WO-2008122943-A1 OLED WITH METAL COMPLEXES HAVING A HIGH QUANTUM EFFICIENCY PHILIPS INTELLECTUAL PROPERTY & STANDARDS GMBH (DE) 2008-10-16 WO disclosed
WO-2008122603-A2 IRIDIUM-TRIPHENYLENE COMPLEXES AND THEIR USE IN OLEDS BASF SE (DE) 2008-10-16 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 (2 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-20130231489-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS OCIAD1, ORC3, OCIAD2 NPC1 2841/4885RAB9A 3011/4885CYP1A2 2397/4885
US-20100127215-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS OCIAD1, ORC3, OCIAD2 NPC1 2841/4885RAB9A 3011/4885CYP1A2 2397/4885

“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.