SCHEMBL963511

SCHEMBL963511

O=C(c1ccccc1)C(Br)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.47
CES1 P23141 5/20 0.47
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
HDAC1 Q13547 1/20 0.41
MDM2 Q00987 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNN4 O15554 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL30882180 0.81 CES2 (0.50) CES2CES1IDO1TDO2NPC1
SCHEMBL7478644 0.81 CES2 (0.50) CES2CES1IDO1TDO2NPC1
SCHEMBL3107199 0.81 CES2 (0.47) CES2CES1IDO1TDO2HDAC1
SCHEMBL9412496 0.81 HIF1A (0.49) CES2CES1IDO1TDO2HDAC1
SCHEMBL1121616 0.76 LMNA (0.49) CES2CES1NPC1RAB9AHTT
SCHEMBL7471753 0.76 CES2 (0.49) CES2CES1IDO1TDO2HTT
SCHEMBL375156 0.74 MAPK14 (0.40) CES2CES1MDM2L3MBTL1
SCHEMBL682581 0.73 CES2 (0.53) CES2CES1NPC1RAB9AHTT
SCHEMBL8797718 0.73 MEN1 (0.46) CES2CES1IDO1TDO2MDM2
SCHEMBL20608089 0.72 NPC1 (0.45) CES2CES1HDAC1MDM2NPC1

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 8 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
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
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 (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-20100155713-A1 Metal complex compound and organic electroluminescent device using same EMC2, EED, LAGE3 CES2 3714/4885CES1 4711/4885IDO1 3706/4885
US-20110017984-A1 Metal complex compound and organic electroluminescent device using same EMC2, EED, LAGE3 CES2 3714/4885CES1 4711/4885IDO1 3706/4885

“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.