SCHEMBL21562893

SCHEMBL21562893

Fc1nc(F)c(F)c(-c2ccc(-c3ccccc3)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KIF11 P52732 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAB9A P51151 2/20 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
SCHEMBL21544310 0.95 MAPT (0.40) ALDH1A1GRM5ELANEMAPK1LMNA
SCHEMBL22148904 0.90 L3MBTL1 (0.47) ALDH1A1GRM5MAPK1LMNAMAPT
SCHEMBL22148815 0.83 MEN1 (0.56) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL23189459 0.82 APP (0.44) ALDH1A1GRM5LMNAMAPTCYP1A2
SCHEMBL21889559 0.79 MAPT (0.45) ALDH1A1MAPTHSD17B10TDP1MEN1
SCHEMBL23733855 0.78 L3MBTL1 (0.48) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL21888537 0.78 L3MBTL1 (0.48) ALDH1A1ELANEMAPK1LMNAMAPT
SCHEMBL22148577 0.78 L3MBTL1 (0.44) ALDH1A1ELANEMAPK1LMNAMAPT
SCHEMBL13827302 0.77 ALDH1A1 (0.43) ALDH1A1KIF11MAPTCYP3A4TAAR1
SCHEMBL7711087 0.77 ALDH1A1 (0.50) ALDH1A1KIF11GRM5MAPK1LMNA

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-11778904-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-10-03 — — US disclosed
US-11778904-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-10-03 — — US disclosed
US-20190348610-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC (JP) 2019-11-14 — — 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-11778904-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ALDH1A1 86/4885KIF11 3599/4885GRM5 774/4885
US-20190348610-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ALDH1A1 86/4885KIF11 3599/4885GRM5 774/4885

“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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