SCHEMBL21292572

SCHEMBL21292572

O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c1cc[nH]c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
EPHX2 P34913 2/20 0.33
JMJD6 Q6NYC1 1/20 0.33
GSK3A P49840 3/20 0.31
RPS6KA3 P51812 3/20 0.31
MAPK14 Q16539 3/20 0.31
SERPINE1 P05121 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
PADI4 Q9UM07 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
SCN1A P35498 1/20 0.30

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
SCHEMBL31460538 0.81 CA2 (0.32) SIRT2PDK1PDK2PDK3PDK4
SCHEMBL15216280 0.79 MAPK1 (0.36) MAPK1HIF1ASIRT2EPHX2JMJD6
SCHEMBL1996387 0.79 MAPK1 (0.62) MAPK1HIF1ATSHRHTR1ACYP2D6
SCHEMBL1993751 0.78 MAPK1 (0.47) MAPK1HIF1APDK1PDK2PDK3
SCHEMBL9142594 0.78 ESR1 (0.51) MAPK1HIF1AMAPTTSHRCYP2D6
SCHEMBL31460495 0.76 CA1 (0.34) SIRT2
SCHEMBL1995807 0.74 MAPK1 (0.61) MAPK1HIF1ATSHRHTR1ACYP2D6
SCHEMBL8975672 0.73 NPC1 (0.39) MAPK1HIF1AJMJD6SERPINE1USP2
SCHEMBL1998327 0.73 MAPK1 (0.59) MAPK1HIF1ATSHRHTR1ACYP2D6
SCHEMBL1998060 0.73 MAPK1 (0.46) MAPK1HIF1AJMJD6MAPTTSHR

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
CN-109563405-B Nitrogen-containing cyclic compound, color conversion film comprising same, and backlight unit and display device comprising same 株式会社LG化学 2022-06-17 CN disclosed
US-11279716-B2 Nitrogen-containing cyclic compound, color conversion film comprising same, and backlight unit and display device comprising same LG CHEM, LTD. (KR) 2022-03-22 US disclosed
US-20190263836-A1 NITROGEN-CONTAINING CYCLIC COMPOUND, COLOR CONVERSION FILM COMPRISING SAME, AND BACKLIGHT UNIT AND DISPLAY DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-29 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 (2 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-11279716-B2 Nitrogen-containing cyclic compound, color conversion film comprising same, and backlight unit and display device comprising same CRY1, NUDC, CRY2 MAPK1 2119/4885HIF1A 1445/4885SIRT2 2202/4885
US-20190263836-A1 NITROGEN-CONTAINING CYCLIC COMPOUND, COLOR CONVERSION FILM COMPRISING SAME, AND BACKLIGHT UNIT AND DISPLAY DEVICE COMPRISING SAME CRY1, NUDC, CRY2 MAPK1 2119/4885HIF1A 1445/4885SIRT2 2202/4885

“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.