Sugi Predict

Sugi Predict / Compounds / SCHEMBL958654

SCHEMBL958654

SCHEMBL958654

COc1ccc(OBOc2ccc(OC)cc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ACHE P22303 2/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ NFE2L2 Q16236 1/20 0.39

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
SCHEMBL15081831 0.84 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL23744 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2002833 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL82486 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL290040 0.81 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL1963842 0.81 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL3753855 0.79 NQO1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1277335 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1277797 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL3563216 0.77 GPR3 (0.41) CYP1A2

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497386-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2025-12-16 — — US disclosed
CN-119161384-A Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-12-20 — — CN disclosed
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 — — CN disclosed
US-20240308986-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS RADIUS PHARMACEUTICALS, INC. 2024-09-19 — — US disclosed
CN-112105607-B Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-08-27 — — CN disclosed
US-12018019-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
CN-116648453-A 5-and 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 活力疗法公司 2023-08-25 — — CN disclosed
US-20220332704-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS RADIUS PHARMACEUTICALS, INC. 2022-10-20 — — US disclosed
US-11384068-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2022-07-12 — — US disclosed
CN-112105607-A Estrogen receptor modulating compounds 雷迪厄斯制药公司 2020-12-18 — — CN disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 — — US disclosed
WO-2002059124-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — WO disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — WO disclosed
WO-2002059127-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 — — WO disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 — — EP disclosed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 — — EP disclosed
EP-1189904-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 — — EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 — — WO disclosed
WO-2000077002-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 — — WO disclosed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 — — WO 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 (6 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 CA12 4869/4885CA1 4650/4885CA2 4231/4885
US-20240308986-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS ESR2, GPER1, ESR1 CA12 3666/4885CA1 3587/4885CA2 2407/4885
US-20220332704-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS ESR2, GPER1, ESR1 CA12 3666/4885CA1 3587/4885CA2 2407/4885
US-11384068-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 CA12 3666/4885CA1 3587/4885CA2 2407/4885
US-12018019-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 CA12 3666/4885CA1 3587/4885CA2 2407/4885
US-12497386-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 CA12 3666/4885CA1 3587/4885CA2 2407/4885

“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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