SCHEMBL13879149

SCHEMBL13879149

O=C1C=C(Oc2ccc(C(F)(F)F)cc2)C(=O)C=C1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ BACE1 P56817 1/20 0.42
▸ CES2 O00748 6/20 0.41
▸ CES1 P23141 6/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ KIF11 P52732 2/20 0.41
▸ LTA4H P09960 1/20 0.38
▸ GAPDH P04406 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ORAI3 Q9BRQ5 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL14199684 0.80 SOD1 (0.40) CES2ALOX5
SCHEMBL13879239 0.78 KIF11 (0.48) CES2ALOX5KIF11LTA4HSCN9A
SCHEMBL11148692 0.78 CA1 (0.52) CA1CA2CA9CES2CES1
SCHEMBL1685383 0.78 CA1 (0.52) CA1CA2CA9CES2CES1
SCHEMBL29377645 0.75 LTA4H (0.50) CA1CA2CA9KIF11LTA4H
SCHEMBL13879310 0.74 KIF11 (0.45) ALOX5KIF11LTA4HSCN9AALDH1A1
SCHEMBL9987935 0.72 TRPV1 (0.46) CA1CA2CA9KIF11LTA4H
SCHEMBL15396913 0.72 MEN1 (0.56) CES2CES1ALOX5LTA4HGAPDH
SCHEMBL8684058 0.72 CA1 (0.48) CA1CA2CA9CES2CES1
SCHEMBL13879146 0.72 CA1 (0.41) CA1CA2CA9BACE1KIF11

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 CA1 4438/4885CA2 4068/4885CA9 2181/4885

“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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