SCHEMBL13636818

SCHEMBL13636818

Nc1ccc(/C=C/c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.48
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
NQO2 P16083 2/20 0.47
APP P05067 3/20 0.47
CYP2D6 P10635 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
AOC3 Q16853 1/20 0.40

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
SCHEMBL13790221 0.89 CYP2D6 (0.50) MAOBCYP2D6GRIK1GRIK2KDM4E
SCHEMBL5073 0.87 TDP1 (0.50) MAOBMAOAKDM4EAOC3
Hydrochloric Acid SCHEMBL8756363 0.85 TDP1 (0.48) MAOBKDM4EAOC3
Hydrochloric Acid SCHEMBL3785323 0.85 TDP1 (0.48) MAOBKDM4EAOC3
SCHEMBL633116 0.81 ALDH1A1 (0.64) MAOBMAOA
SCHEMBL1242144 0.81 KIF11 (0.52)
SCHEMBL9061558 0.80 RELA (0.59) CYP2D6PIM1PIM2
SCHEMBL9061561 0.80 RELA (0.59) CYP2D6PIM1PIM2
SCHEMBL3464474 0.80 CYP2D6 (0.48) CYP2D6GRIK1GRIK2KDM4ECA12
SCHEMBL9060858 0.80 NFE2L2 (0.62) CYP19A1NQO2CYP2D6KDM4E

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-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM CYP19A1 3419/4885MAOB 344/4885MAOA 969/4885

“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.