SCHEMBL10074370

SCHEMBL10074370

N#CC(C#N)=C1c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RXRA P19793 6/20 0.41
RXRB P28702 5/20 0.41
RXRG P48443 5/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAAA Q02083 1/20 0.36
KIF11 P52732 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
RPS6KA3 P51812 1/20 0.34
JAK3 P52333 1/20 0.34
PDK2 Q15119 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL12149409 0.97 MAPT (0.40) MAPTPKMALDH1A1GAARXRA
SCHEMBL12117703 0.97 MAPT (0.40) MAPTPKMALDH1A1GAARXRA
SCHEMBL14233921 0.92 PDK2 (0.37) MAPTPKMALDH1A1GAARXRA
SCHEMBL20930513 0.91 RXRA (0.40) MAPTPKMALDH1A1GAARXRA
SCHEMBL22109062 0.91 MAPT (0.36) MAPTPKMALDH1A1GAARXRA
SCHEMBL12149151 0.90 RXRA (0.37) MAPTPKMALDH1A1GAARXRA
SCHEMBL13874193 0.89 MAPT (0.35) MAPTPKMALDH1A1GAARXRA
SCHEMBL12117580 0.89 RXRA (0.39) MAPTPKMALDH1A1GAARXRA
SCHEMBL12148953 0.89 RXRA (0.39) MAPTPKMALDH1A1GAARXRA
SCHEMBL25908094 0.89 MAPT (0.38) MAPTPKMALDH1A1GAARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 MAPT 4038/4885PKM 1723/4885ALDH1A1 1634/4885

“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.