SCHEMBL16596324

SCHEMBL16596324

O=S(=O)(Oc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.35
▸ PRKDC P78527 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ PPARG P37231 3/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ PARP14 Q460N5 1/20 0.30

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
SCHEMBL16596210 0.94 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL16596209 0.90 ALOX5 (0.43) ALOX5PRKDCTP53PPARGPPARA
SCHEMBL24947979 0.86 ALOX5 (0.44) ALOX5PRKDCHDAC4PARP14
SCHEMBL21971888 0.86 ALOX5 (0.44) ALOX5PRKDCHDAC4PARP14
SCHEMBL21971882 0.86 ALOX5 (0.44) ALOX5PRKDCHDAC4PARP14
SCHEMBL21970854 0.86 ALOX5 (0.44) ALOX5PRKDCHDAC4PARP14
SCHEMBL15615564 0.86 ALOX5 (0.44) ALOX5PRKDCHDAC4PARP14
SCHEMBL16596208 0.86 KDM4E (0.41) PPARGPPARAPTPN1HDAC4
SCHEMBL15615709 0.84 ALOX5 (0.45) ALOX5PRKDCHDAC4PARP14
SCHEMBL15615692 0.84 ALOX5 (0.45) ALOX5PRKDCHDAC4PARP14

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 919/4885PRKDC 4823/4885TP53 4661/4885

“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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