SCHEMBL23733889

SCHEMBL23733889

Fc1cc(F)cc(-c2nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)nc(-c3cc(F)cc(F)c3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2A6 P11509 1/20 0.50
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALOX5 P09917 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B1 P14061 1/20 0.42

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
SCHEMBL23733875 0.93 ESR1 (0.47) CYP1A2CYP2A6ESR1ESR2SMN1; SMN2
SCHEMBL23733799 0.93 ESR1 (0.47) CYP1A2CYP2A6ESR1ESR2SMN1; SMN2
SCHEMBL23733833 0.89 CYP1A2 (0.54) CYP1A2CYP2A6ESR1ESR2SMN1; SMN2
SCHEMBL23733831 0.89 CYP1A2 (0.54) CYP1A2CYP2A6ESR1ESR2SMN1; SMN2
SCHEMBL22186309 0.87 ESR1 (0.61) CYP1A2ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL13871687 0.87 ESR1 (0.61) CYP1A2ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL23733836 0.86 TAAR1 (0.53) CYP1A2CYP2A6ESR1ESR2SMN1; SMN2
SCHEMBL23733841 0.86 MEN1 (0.51) CYP1A2CYP2A6ESR1ESR2SMN1; SMN2
SCHEMBL23733789 0.85 CYP1A2 (0.54) CYP1A2CYP2A6ESR1ESR2SMN1; SMN2
SCHEMBL23733888 0.85 MEN1 (0.50) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A

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-11844273-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 US disclosed
US-11844273-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 US disclosed
US-11563183-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-24 US disclosed
US-20210367158-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-11-25 US disclosed
US-11088331-B2 2021-08-10 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 (4 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-11563183-B2 Heterocyclic compound and organic light-emitting device including the same DDT, PPOX, LEF1 CYP1A2 61/4885CYP2A6 1721/4885ESR1 502/4885
US-11844273-B2 Heterocyclic compound and organic light-emitting device including the same DDT, PPOX, LEF1 CYP1A2 61/4885CYP2A6 1721/4885ESR1 502/4885
US-11088331-B2 DDT, PPOX, DBF4 CYP1A2 73/4885CYP2A6 1753/4885ESR1 588/4885
US-20210367158-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME DDT, PPOX, LEF1 CYP1A2 61/4885CYP2A6 1721/4885ESR1 502/4885

“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.