SCHEMBL29294789

SCHEMBL29294789

c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 6/20 0.44
▸ ESR1 P03372 5/20 0.44
▸ ACHE P22303 2/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ DHFR P00374 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL19283276 0.93 ESR2 (0.46) ESR2ESR1ACHEALOX5ALDH1A1
SCHEMBL2964995 0.93 ESR2 (0.46) ESR2ESR1ACHEALOX5ALDH1A1
SCHEMBL21435747 0.93 ESR2 (0.46) ESR2ESR1ACHEALOX5ALDH1A1
SCHEMBL28085916 0.93 ESR2 (0.46) ESR2ESR1ACHEALOX5ALDH1A1
SCHEMBL5599347 0.93 ESR2 (0.46) ESR2ESR1ACHEALOX5ALDH1A1
SCHEMBL27068737 0.91 HSD17B1 (0.41) ESR2ESR1ACHEALOX5CYP1A2
SCHEMBL994958 0.91 ACHE (0.45) ESR2ESR1ACHEALOX5ALDH1A1
SCHEMBL2696055 0.91 ESR2 (0.47) ESR2ESR1ALOX5ALDH1A1JAK2
SCHEMBL29662092 0.91 ACHE (0.45) ESR2ESR1ACHEALOX5ALDH1A1
SCHEMBL4585463 0.91 ESR2 (0.47) ESR2ESR1ACHEALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240237533-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2024-07-11 — — 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-20240237533-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, C1R, ORC3 ESR2 1316/4885ESR1 1295/4885ACHE 3315/4885

“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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