SCHEMBL20745051

SCHEMBL20745051

COC(=O)C1(c2nccc(C(OC)OC)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PDE4D Q08499 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ OPRK1 P41145 2/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL28849863 0.76 CYP3A4 (0.40) KMT2AL3MBTL1PDE4DMEN1P2RY1
SCHEMBL20745118 0.75 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20745437 0.73 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20745446 0.73 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20745622 0.72 L3MBTL1 (0.38) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20745088 0.72 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20742414 0.72 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20745907 0.70 L3MBTL1 (0.36) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL2751610 0.69 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL1800915 0.68 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1

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-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 — — US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 — — US disclosed
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 — — CN disclosed
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 — — CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 — — US disclosed
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-07-30 — — US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
EP-3668502-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — WO disclosed
WO-2019035927-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — 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 (4 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-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SMN1; SMN2 605/4885KMT2A 1365/4885MAPT 4497/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SMN1; SMN2 605/4885KMT2A 1365/4885MAPT 4497/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SMN1; SMN2 609/4885KMT2A 1375/4885MAPT 4499/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SMN1; SMN2 605/4885KMT2A 1365/4885MAPT 4497/4885

“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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