SCHEMBL1093598

SCHEMBL1093598

OB(O)c1ccc2c(-c3ccc4ccccc4c3)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PLG P00747 1/20 0.43
F12 P00748 1/20 0.43
F11 P03951 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
GSTP1 P09211 1/20 0.43
TLR8 Q9NR97 1/20 0.42
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL2165047 0.92 CA1 (0.59) CA1CA2HDAC4HDAC2HDAC8
SCHEMBL3775520 0.87 CA1 (0.71) CA1CA2PLGF12F11
SCHEMBL13016334 0.87 CA1 (0.49) CA1CA2HDAC8PLGF12
SCHEMBL13016336 0.86 CA1 (0.65) CA1CA2PLGF12F11
SCHEMBL23621126 0.85 CA1 (0.53) CA1CA2HDAC8PLGF12
SCHEMBL31590517 0.85 CA1 (0.53) CA1CA2HDAC8PLGF12
SCHEMBL3778895 0.85 CA1 (0.69) CA1CA2PLGF12F11
SCHEMBL30787956 0.83 CA1 (0.83) CA1CA2HDAC4HDAC2HDAC8
SCHEMBL3418284 0.83 CA1 (0.83) CA1CA2HDAC4HDAC2HDAC8
SCHEMBL31376292 0.83 CA1 (0.59) CA1CA2HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8587192-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2013-11-19 US disclosed
US-8330350-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-12-11 US disclosed
US-8330350-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-12-11 US disclosed
US-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-8154195-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-04-10 US disclosed
US-8154195-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-04-10 US disclosed
EP-2166585-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009067-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009067-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 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 (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-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RIF1, ARL1 CA1 1358/4885CA2 1647/4885HDAC4 3776/4885
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RAE1 CA1 1889/4885CA2 1585/4885HDAC4 3290/4885

“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.