SCHEMBL10075601

SCHEMBL10075601

N#CC(C#N)=C1c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KIF11 P52732 3/20 0.41
AR P10275 10/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MPL P40238 3/20 0.38
KMO O15229 2/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL12117710 0.97 CTSS (0.40) CTSSCTSKKIF11ARALDH1A1
SCHEMBL12198575 0.97 CTSS (0.40) CTSSCTSKKIF11ARALDH1A1
SCHEMBL14233920 0.92 AR (0.40) CTSSCTSKKIF11ARALDH1A1
SCHEMBL12149119 0.90 CTSS (0.38) CTSSCTSKKIF11ARALDH1A1
SCHEMBL12117707 0.90 CTSS (0.38) CTSSCTSKKIF11ARALDH1A1
SCHEMBL10075599 0.88 KIF11 (0.55) KIF11ALDH1A1GAAMAPTPKM
SCHEMBL16433730 0.87 KIF11 (0.35) CTSSCTSKKIF11ARALDH1A1
SCHEMBL12149156 0.87 FFAR4 (0.37) CTSSCTSKKIF11ARALDH1A1
SCHEMBL19799328 0.87 CTSS (0.39) CTSSCTSKKIF11ARALDH1A1
SCHEMBL30019760 0.87 MPL (0.44) CTSSCTSKKIF11ARMPL

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 2103/4885CTSK 3610/4885KIF11 2450/4885

“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.