SCHEMBL4411468

SCHEMBL4411468

CC(C)(C)c1cccc(C(C)(C)C)c1-c1c2ccccc2c(-c2c(C(C)(C)C)cccc2C(C)(C)C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
CA2 P00918 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
NPSR1 Q6W5P4 1/20 0.35
ALOX12 P18054 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 2/20 0.32
PTPN5 P54829 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL10523675 0.87 CA2 (0.60) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL12602812 0.81 CA2 (0.39) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL4818310 0.75 KIF11 (0.48) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL10882112 0.75 CA2 (0.68) CA2ALDH1A1TDP1TSHRGABRA1
SCHEMBL252402 0.75 KIF11 (0.48) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL29972825 0.75 KIF11 (0.48) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL499729 0.75 CA2 (0.43) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL17278051 0.74 CA2 (0.43) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL29355273 0.74 ALDH1A1 (0.63) KIF11CA2ALDH1A1TDP1TSHR
SCHEMBL580584 0.74 ALDH1A1 (0.63) KIF11CA2ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090322211-A1 Light-Emitting Material, Light-Emitting Device, and Electronic Apparatus SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-12-31 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-20090322211-A1 Light-Emitting Material, Light-Emitting Device, and Electronic Apparatus NFE2L2, SLC25A21, SLCO2A1 KIF11 3785/4885CA2 2985/4885ALDH1A1 102/4885

“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.