SCHEMBL13879239

SCHEMBL13879239

O=C1C=C(Oc2cccc(C(F)(F)F)c2)C(=O)C=C1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ ACR P10323 1/20 0.42
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ TEAD1 P28347 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL13879310 0.95 KIF11 (0.45) KIF11ALDH1A1L3MBTL1POLBMAPT
SCHEMBL14199684 0.82 SOD1 (0.40) MAPTALOX5CES2
SCHEMBL9798371 0.81 LTA4H (0.54) KIF11ALDH1A1L3MBTL1POLBMAPT
SCHEMBL13879149 0.78 CA1 (0.44) KIF11ALDH1A1ALOX5LTA4HSCN9A
SCHEMBL27579381 0.77 LTA4H (0.59) KIF11ALDH1A1L3MBTL1POLBMAPT
SCHEMBL14199688 0.77 KIF11 (0.46) KIF11ALDH1A1L3MBTL1POLBMAPT
SCHEMBL9546526 0.76 L3MBTL1 (0.55) KIF11ALDH1A1L3MBTL1POLBCYP1A2
SCHEMBL13879152 0.75 KIF11 (0.50) KIF11ALDH1A1L3MBTL1POLBMAPT
SCHEMBL4214531 0.74 TSHR (0.54) L3MBTL1KDM4EPRSS1ACRPPARG
SCHEMBL19890691 0.74 MGLL (0.48) ALDH1A1L3MBTL1POLBKDM4EPRSS1

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
EP-2000456-A9 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2009-04-08 — — EP disclosed
EP-2000456-A2 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2008-12-10 — — EP disclosed
US-20080093985-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-04-24 — — US disclosed
US-20080093985-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-04-24 — — 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-20080093985-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NDUFS7, NDUFA9, NDUFS8 KIF11 937/4885ALDH1A1 247/4885L3MBTL1 1162/4885

“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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