SCHEMBL4444795

SCHEMBL4444795

FC(F)(F)c1ccc(-c2ccc3ccc4c(-c5ccc(C(F)(F)F)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.43
▸ CYP2C8 P10632 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ APP P05067 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ TOP1 P11387 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36

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
SCHEMBL15945783 0.93 KIF11 (0.57) KIF11CYP2C8PSEN1PSEN2APH1B
SCHEMBL15947775 0.93 PSEN1 (0.39) KIF11CYP2C8PSEN1PSEN2APH1B
SCHEMBL4440788 0.93 KIF11 (0.42) KIF11CYP2C8PSEN1PSEN2APH1B
SCHEMBL15945788 0.91 KDM1A (0.42) KIF11CYP2C8APPENPP1TOP2A
SCHEMBL15945808 0.87 KIF11 (0.50) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL24605030 0.86 KIF11 (0.41) KIF11CYP2C8TOP1ENPP1ESR1
SCHEMBL19911033 0.86 APP (0.40) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL15945806 0.86 KDM1A (0.41) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL15947774 0.86 KDM1A (0.41) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL24605290 0.83 CYP1A2 (0.41) KIF11CYP2C8TOP1ENPP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177450-B2 Organoelectroluminescent element, and light emission device, display device, and illumination device in which said organoelectroluminescent element is used UDC IRELAND LIMITED (IE) 2021-11-16 — — US disclosed
US-20140225085-A1 Organoelectroluminescent Element, and Light Emission Device, Display Device, and Illumination Device in which Said Organoelectroluminescent Element is Used UDC IRELAND LIMITED (IE) 2014-08-14 — — US disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 — — US disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 — — US disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 — — 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP KIF11 3601/4885CYP2C8 70/4885PSEN1 863/4885

“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.

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