SCHEMBL10050385

SCHEMBL10050385

[C-]#[N+]C(C#N)=C1c2cc(-c3cccc(C(F)(F)F)c3)ccc2-c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.39
KIF11 P52732 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
CTSK P43235 3/20 0.37
KCNH2 Q12809 1/20 0.37
MAOB P27338 1/20 0.37
NAAA Q02083 1/20 0.37
KDM1A O60341 1/20 0.36
XDH P47989 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
S1PR5 Q9H228 1/20 0.36
PGR P06401 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
GALR1 P47211 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL13373510 0.97 CTSS (0.38) CTSSKIF11PARP10PARP11CTSK
SCHEMBL12114441 0.91 AR (0.41) CTSSKIF11PARP10PARP11CTSK
SCHEMBL12148646 0.91 AR (0.41) CTSSKIF11PARP10PARP11CTSK
SCHEMBL2706870 0.91 CTSS (0.40) CTSSKIF11PARP10PARP11CTSK
SCHEMBL10050388 0.90 RXRA (0.37) CTSSKIF11CTSKNAAAAKR1C3
SCHEMBL13373399 0.88 CTSS (0.32) CTSSKIF11PARP10PARP11CTSK
SCHEMBL10050390 0.88 KIF11 (0.41) CTSSKIF11CTSKCA12CA9
SCHEMBL12114502 0.88 KIF11 (0.39) KIF11KCNH2ALDH1A1S1PR5
SCHEMBL2705380 0.88 CTSS (0.38) CTSSKIF11CTSKKCNH2MAOB
SCHEMBL13373370 0.87 RXRA (0.35) NAAAAKR1C3AKR1C2

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 CTSS 2103/4885KIF11 2450/4885PARP10 3070/4885

“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.