SCHEMBL4257908

SCHEMBL4257908

CCCC1CC=C(c2cccc(F)c2F)CC1.OBO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
ESR2 Q92731 1/20 0.33
CDK2 P24941 1/20 0.32
MAPK1 P28482 1/20 0.32
FLT4 P35916 1/20 0.32
MAPK8 P45983 1/20 0.32
CLK2 P49760 1/20 0.32
LIMK1 P53667 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
SLK Q9H2G2 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CHRM3 P20309 2/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL732054 0.95 CCNT1 (0.35) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9497022 0.87 HDAC3 (0.34) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL730117 0.86 HDAC3 (0.34) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9497782 0.85 GRM2 (0.33) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9493947 0.85 GRM2 (0.33) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9494782 0.85 GRM2 (0.33) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9419289 0.85 GRM2 (0.33) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9493202 0.85 GRM2 (0.33) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9493359 0.85 GRM2 (0.33) CCNT1CDK9ESR2CDK2MAPK1
SCHEMBL9419278 0.84 CCNT1 (0.36) CCNT1CDK9ESR2CDK2MAPK1

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-8318969-B2 Alignment material for liquid crystal display device of vertical alignment mode and method of preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2012-11-27 US disclosed
US-20090041955-A1 ALIGNMENT MATERIAL FOR LIQUID CRYSTAL DISPLAY DEVICE OF VERTICAL ALIGNMENT MODE AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2009-02-12 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-20090041955-A1 ALIGNMENT MATERIAL FOR LIQUID CRYSTAL DISPLAY DEVICE OF VERTICAL ALIGNMENT MODE AND METHOD OF PREPARING THE SAME SDAD1, DVL1, VCL CCNT1 10/4885CDK9 123/4885ESR2 2930/4885

“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.