SCHEMBL3414680

SCHEMBL3414680

CC(C)c1c2ccccc2c(Br)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
NCEH1 Q6PIU2 3/20 0.34
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
AHR P35869 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
VDR P11473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR3 P46089 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL29053723 0.87 KIF11 (0.41) KIF11CCNB2CDK1CCNB1CCNB3
SCHEMBL4355031 0.81 RECQL (0.36) NCEH1POLBCYP1A2ALDH1A1
SCHEMBL1070380 0.78 KIF11 (0.40) KIF11CCNB2CDK1CCNB1CCNB3
SCHEMBL17539919 0.78 TSHR (0.41) GABRA1GABRB2ALDH1A1
SCHEMBL28511 0.78 ALDH1A1 (0.44) POLBCYP1A2ALDH1A1GPR3HSD17B10
SCHEMBL29352635 0.78 ALDH1A1 (0.44) POLBCYP1A2ALDH1A1GPR3HSD17B10
SCHEMBL25060809 0.75 CCNB2 (0.39) KIF11CCNB2CDK1CCNB1CCNB3
SCHEMBL7915432 0.74 POLB (0.42) POLBCYP1A2ALDH1A1GPR3HSD17B10
SCHEMBL18473313 0.71 ACHE (0.47) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL12898148 0.71 NCEH1 (0.37) KIF11CCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357821-B2 Aromatic amine compound, organic electroluminescent element including the same, and display device including organic electroluminescent element SONY CORPORATION (JP) 2013-01-22 US disclosed
CN-101735107-A Aromatic amine compound, organic electroluminescent element including the same, and display device including organic electroluminescent element SONY CORP 2010-06-16 CN disclosed
US-20100109555-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC ELECTROLUMINESCENT ELEMENT SONY CORPORATION (JP) 2010-05-06 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-20100109555-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC ELECTROLUMINESCENT ELEMENT AOC2, NR2E1, AOC3 KIF11 3001/4885CCNB2 468/4885CDK1 1537/4885

“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.