SCHEMBL16596207

SCHEMBL16596207

O=S(=O)(Oc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ CDC14B O60729 2/20 0.38
▸ CDC14A Q9UNH5 2/20 0.38
▸ GGPS1 O95749 1/20 0.37
▸ PRKDC P78527 5/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ PTPN1 P18031 6/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 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
SCHEMBL16596312 0.99 ALOX5 (0.43) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL16596339 0.91 ALOX5 (0.35) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL16596366 0.90 PRKDC (0.35) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL16596206 0.89 PRKDC (0.36) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL12037405 0.87 ALOX5 (0.35) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL16596327 0.87 ALOX5 (0.35) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL16632993 0.86 CDC14B (0.36) ALOX5CDC14BCDC14AGGPS1PTGES2
SCHEMBL25132623 0.82 ALOX5 (0.55) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL74424 0.82 ALOX5 (0.55) ALOX5CDC14BCDC14AGGPS1PRKDC
SCHEMBL21131445 0.82 ALOX5 (0.55) ALOX5CDC14BCDC14AGGPS1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9425402-B2 Polymerizable monomer, and material for organic device, hole injection/transport material, material for organic electroluminescence element and organic electroluminescent element each comprising polymer (polymeric compound) of the polymerizable monomer IDEMITSU KOSAN CO., LTD. (JP) 2016-08-23 — — US disclosed
US-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU KOSAN CO (JP) 2015-03-26 — — US disclosed
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 — — 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-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 ALOX5 919/4885CDC14B 4832/4885CDC14A 4845/4885

“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.

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