SCHEMBL966965

SCHEMBL966965

O=C(Cc1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL7259829 0.89 RAB9A (0.50) RAB9ANPC1MEN1KMT2ACES1
SCHEMBL11770030 0.85 SRD5A2 (0.47) RAB9ASMN1; SMN2HTTMAPK1MEN1
SCHEMBL5451331 0.83 MAOB (0.44) RAB9ANPC1MEN1KMT2ACES1
SCHEMBL1121618 0.83 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPK1MEN1
SCHEMBL9412489 0.83 PDPK1 (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3097072 0.83 MEN1 (0.47) MAPK1MEN1KMT2AKDM4ECYP3A4
SCHEMBL3093455 0.82 MAPK1 (0.47) RAB9ASMN1; SMN2NPC1MAPK1MEN1
SCHEMBL70282 0.82 MAPK1 (0.54) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL29533518 0.82 MAPK1 (0.54) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL503325 0.80 TSHR (0.53) SIGMAR1CES1MAOBMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336142-B1 Iridium organic complex and electroluminescent device using same IDEMITSU KOSAN CO (JP) 2013-09-04 EP disclosed
EP-2084171-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO KK (JP) 2013-04-10 EP disclosed
US-8106390-B2 Metal complex compound and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2012-01-31 US disclosed
EP-1647554-B1 IRIDIUMORGANIC COMPLEX AND ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO (JP) 2011-08-31 EP disclosed
EP-2336142-A2 Iridium organic complex and electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-22 EP disclosed
US-20110017984-A1 Metal complex compound and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-27 US disclosed
US-20100155713-A1 Metal complex compound and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-7667228-B2 Metal complex compound and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2010-02-23 US disclosed
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2009-12-24 US disclosed
EP-2084171-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE Showa Denko K.K. (JP) 2009-08-05 EP disclosed
WO-2008056799-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2008-05-15 WO disclosed
EP-1647554-A2 METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-04-19 EP 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-20100155713-A1 Metal complex compound and organic electroluminescent device using same EMC2, EED, LAGE3 SIGMAR1 4523/4885RAB9A 994/4885SMN1; SMN2 2858/4885
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE ELP1, RUVBL1, LIG1 SIGMAR1 971/4885RAB9A 661/4885SMN1; SMN2 1993/4885
US-20110017984-A1 Metal complex compound and organic electroluminescent device using same EMC2, EED, LAGE3 SIGMAR1 4523/4885RAB9A 994/4885SMN1; SMN2 2858/4885

“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.