SCHEMBL25041866

SCHEMBL25041866

c1ccc(-c2ccc(-c3ccc4cc(-c5ccc6cc7sc8c9cc%10ccccc%10cc9sc8c7cc6c5)ccc4c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.46
▸ ESR2 Q92731 4/20 0.46
▸ LIMK1 P53667 2/20 0.42
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ F9 P00740 2/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37

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
SCHEMBL25040033 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25040104 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25041970 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25041853 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25041969 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25042487 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25042485 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25042466 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25040021 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2
SCHEMBL25041877 1.00 ESR1 (0.46) ESR1ESR2LIMK1HSD17B1HSD17B2

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-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 — — US disclosed
US-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 — — US disclosed
US-20230047095-A1 Fused Polycyclic Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-02-16 — — 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 (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-12024526-B2 Fused polycyclic aromatic compound AHR, PAH, H1-2 ESR1 645/4885ESR2 255/4885LIMK1 4183/4885
US-20230047095-A1 Fused Polycyclic Aromatic Compound AHR, PAH, H1-2 ESR1 687/4885ESR2 220/4885LIMK1 4195/4885

“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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