SCHEMBL25304979

SCHEMBL25304979

O=C1c2ccc(O)cc2CCN1c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.54
▸ CYP11B1 P15538 5/20 0.54
▸ CYP19A1 P11511 5/20 0.48
▸ BCAT2 O15382 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ PRKCI P41743 1/20 0.43
▸ AOC3 Q16853 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL29438664 1.00 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1BCAT2MAOA
SCHEMBL22713726 0.85 CYP11B1 (0.53) CYP11B2CYP11B1BCAT2MAOAMAOB
SCHEMBL17541790 0.85 CYP11B2 (0.52) CYP11B2CYP11B1CYP19A1MAOAMAOB
SCHEMBL29438633 0.84 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL25299690 0.84 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL16827426 0.83 BCAT2 (0.46) CYP11B2CYP11B1BCAT2MAOAMAOB
SCHEMBL29438665 0.83 BCAT2 (0.46) CYP11B2CYP11B1BCAT2MAOAMAOB
SCHEMBL22725954 0.83 AOC3 (0.55) CYP11B2CYP11B1BCAT2MAOAMAOB
SCHEMBL14158182 0.81 BCAT2 (0.53) CYP11B2CYP11B1BCAT2MAOAMAOB
SCHEMBL22725966 0.80 AOC3 (0.56) CYP11B2CYP11B1CYP19A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 — — US disclosed
EP-4215524-A1 COMPOUND SERVING AS THYROID HORMONE BETA RECEPTOR AGONIST AND USES OF COMPOUND Sunshine Lake Pharma Co., Ltd. (CN) 2023-07-26 — — EP disclosed
WO-2022057845-A1 COMPOUND SERVING AS THYROID HORMONE β RECEPTOR AGONIST AND USES OF COMPOUND 广东东阳光药业有限公司 2022-03-24 — — WO disclosed
CN-114195764-A Compound as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业有限公司 2022-03-18 — — CN 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-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF THRB, TSHR, THRA CYP11B2 201/4885CYP11B1 178/4885CYP19A1 282/4885

“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.

Send feedback