SCHEMBL17405338

SCHEMBL17405338

c1ccc(-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PRKDC P78527 5/20 0.37
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRDT Q58F21 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL19986082 0.93 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17246283 0.92 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17405345 0.88 PRKDC (0.33) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL17705483 0.86 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23309007 0.85 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17405337 0.85 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL19986095 0.85 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL22192310 0.85 PRKDC (0.36) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL20175729 0.85 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL16866931 0.84 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBBRD4

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-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ALOX5 103/4885PRKDC 4282/4885PIK3CD 3679/4885

“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.