SCHEMBL17810054

SCHEMBL17810054

OB(O)c1ccc2c(c1)-c1ccccc1-n1c3ccccc3c3cccc-2c31

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.41
ALDH1A1 P00352 1/20 0.34
ENPP2 Q13822 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGLL Q99685 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 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
SCHEMBL17810050 0.92 DUSP3 (0.43) DUSP3ALDH1A1ENPP2CA1CA2
SCHEMBL17810071 0.84 DUSP3 (0.39) DUSP3ALDH1A1CA1CA2MGLL
SCHEMBL24659001 0.83 DUSP3 (0.36) DUSP3ALDH1A1ENPP2MGLLKDM4E
SCHEMBL17809832 0.82 DUSP3 (0.50) DUSP3ALDH1A1IDO1TDO2TUBB4A
SCHEMBL24659005 0.80 DUSP3 (0.36) DUSP3ALDH1A1CA1CA2MGLL
SCHEMBL17810042 0.79 DUSP3 (0.40) DUSP3ALDH1A1IDO1TDO2KDM4E
SCHEMBL17810076 0.79 PTPRC (0.44) DUSP3ALDH1A1KDM4EATML3MBTL1
SCHEMBL17810063 0.79 PTPRC (0.44) DUSP3ALDH1A1KDM4EATML3MBTL1
SCHEMBL24658999 0.78 DUSP3 (0.32) DUSP3
SCHEMBL17810105 0.78 DUSP3 (0.44) DUSP3ALDH1A1IDO1TDO2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9502667-B2 Organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2016-11-22 US disclosed
US-9502667-B2 Organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2016-11-22 US disclosed
US-20160163998-A1 ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-09 US disclosed
US-20160163998-A1 ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-09 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 (1 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-20160163998-A1 ORGANIC ELECTROLUMINESCENCE EML4, ODC1, NDC1 DUSP3 4656/4885ALDH1A1 1565/4885ENPP2 4769/4885

“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.