SCHEMBL18667637

SCHEMBL18667637

COc1c(C)cc(BO)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ DHFR P00374 1/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 1/20 0.30
▸ TUBA3E Q6PEY2 1/20 0.30
▸ TUBA1A Q71U36 1/20 0.30

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
SCHEMBL7899795 0.76 CYP3A4 (0.56) ALDH1A1ACHECYP3A4MAPTTUBB4A
SCHEMBL9768514 0.72 TDP1 (0.59) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL10030804 0.71 ACHE (0.43) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL129762 0.71 ACHE (0.57) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL5582461 0.70 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTTUBB4ATUBB
SCHEMBL13284182 0.70 TPMT (0.50) TDP1ACHECYP3A4MAPTTUBB4A
SCHEMBL2955343 0.69 ALDH1A1 (0.56) ALDH1A1ACHECYP3A4PTPN1CA9
SCHEMBL6140636 0.68 ALDH1A1 (0.42) ALDH1A1ACHECYP3A4PTPN1CA9
Bromide SCHEMBL3682977 0.68 ALDH1A1 (0.37) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL4166761 0.68 ALDH1A1 (0.42) ALDH1A1TDP1MAPTDHFRTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 — — US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 — — US disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 — — EP disclosed
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-04-30 — — US disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 — — US disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 — — 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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885TDP1 4337/4885ACHE 2193/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885TDP1 4337/4885ACHE 2193/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885TDP1 4337/4885ACHE 2193/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885TDP1 4337/4885ACHE 2193/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885TDP1 4337/4885ACHE 2193/4885
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885TDP1 4337/4885ACHE 2193/4885

“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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