SCHEMBL12575643

SCHEMBL12575643

Cc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(C(F)(F)F)cc3)c3ccc4ccc5c(N(c6ccc(C(F)(F)F)cc6)c6cc(-c7ccccc7)cc(-c7ccc(C)cc7)c6)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
DHFR P00374 3/20 0.39
TYMS P04818 1/20 0.35
DHODH Q02127 2/20 0.34
GLO1 Q04760 1/20 0.34
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPBWR1 P48145 1/20 0.34
KDM1A O60341 1/20 0.33
TOP1 P11387 1/20 0.33
PTPN5 P54829 1/20 0.33
PPARD Q03181 2/20 0.32
SCN9A Q15858 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18353234 0.99 DHFR (0.39) KIF11DHFRTYMSDHODHGLO1
SCHEMBL12575779 0.95 NPBWR1 (0.36) KIF11DHFRNPBWR1PPARD
SCHEMBL12575579 0.93 KIF11 (0.42) KIF11DHFRDHODHGLO1DGAT1
SCHEMBL12575630 0.91 MEN1 (0.38) DHODHCCNCCDK8MEN1KMT2A
SCHEMBL12575689 0.90 KIF11 (0.41) KIF11DHFRTYMSDHODHGLO1
SCHEMBL12575569 0.89 MEN1 (0.35) DHODHMEN1KMT2A
SCHEMBL126380 0.88 DHFR (0.37) KIF11DHFRTYMSKDM1ATOP1
SCHEMBL12575626 0.88 MEN1 (0.38) DHODHCCNCCDK8MEN1KMT2A
SCHEMBL12576013 0.88 PTPN5 (0.34) KIF11DHFRDHODHPTPN5
SCHEMBL12575603 0.87 MEN1 (0.34) DHODHKDM1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126892-B2 Blue fluorescence compound and organic electroluminescence device using the same LG DISPLAY CO., LTD. (KR) 2015-09-08 US disclosed
US-9126892-B2 Blue fluorescence compound and organic electroluminescence device using the same LG DISPLAY CO., LTD. (KR) 2015-09-08 US disclosed
US-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2011-06-30 US disclosed
US-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2011-06-30 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-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KCNN2, ORAI2, ETV6 KIF11 1016/4885DHFR 769/4885TYMS 2038/4885

“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.