Sugi Predict

Sugi Predict / Compounds / SCHEMBL23733872

SCHEMBL23733872

SCHEMBL23733872

Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ ESR1 P03372 3/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP17A1 P05093 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ NR3C1 P04150 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 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
SCHEMBL23733826 1.00 HSD17B1 (0.49) HSD17B1HSD17B2CYP1A2CYP2A6ESR1
SCHEMBL23733783 0.97 HSD17B1 (0.49) HSD17B1HSD17B2CYP1A2CYP2A6ESR1
SCHEMBL23733841 0.95 MEN1 (0.51) HSD17B1HSD17B2CYP1A2CYP2A6ESR1
SCHEMBL23733833 0.95 CYP1A2 (0.54) HSD17B1HSD17B2CYP1A2CYP2A6ESR1
SCHEMBL23733831 0.95 CYP1A2 (0.54) HSD17B1HSD17B2CYP1A2CYP2A6ESR1
SCHEMBL23733873 0.93 ESR1 (0.49) HSD17B1HSD17B2CYP1A2ESR1ESR2
SCHEMBL23733870 0.91 ESR1 (0.50) CYP1A2CYP2A6ESR1ESR2KDM4E
SCHEMBL23733837 0.91 ESR1 (0.50) CYP1A2CYP2A6ESR1ESR2KDM4E
SCHEMBL23733834 0.91 ESR1 (0.50) CYP1A2CYP2A6ESR1ESR2KDM4E
SCHEMBL23733823 0.91 ESR1 (0.50) CYP1A2CYP2A6ESR1ESR2KDM4E

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 HSD17B1 827/4885HSD17B2 611/4885CYP1A2 61/4885
US-11844273-B2 Heterocyclic compound and organic light-emitting device including the same DDT, PPOX, LEF1 HSD17B1 827/4885HSD17B2 611/4885CYP1A2 61/4885
US-11088331-B2 — DDT, PPOX, DBF4 HSD17B1 1099/4885HSD17B2 640/4885CYP1A2 73/4885
US-20210367158-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME DDT, PPOX, LEF1 HSD17B1 827/4885HSD17B2 611/4885CYP1A2 61/4885

“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.