SCHEMBL20745906

SCHEMBL20745906

OCc1ccnc(-c2ccc(OC[C@H]3COCCO3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.40
GRM4 Q14833 8/20 0.38
GPR84 Q9NQS5 5/20 0.37
AOC3 Q16853 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL20745889 1.00 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTPPARG
SCHEMBL20745078 1.00 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTPPARG
SCHEMBL20745891 1.00 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTPPARG
SCHEMBL22262546 1.00 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTPPARG
SCHEMBL20972586 0.87 ALDH1A1 (0.44) ALDH1A1PPARGGRM4GPR84TDP1
SCHEMBL20972707 0.87 ALDH1A1 (0.44) ALDH1A1PPARGGRM4GPR84TDP1
SCHEMBL20972584 0.87 ALDH1A1 (0.44) ALDH1A1PPARGGRM4GPR84TDP1
SCHEMBL20745662 0.86 GPR84 (0.43) GRM4GPR84
SCHEMBL20745696 0.86 GPR84 (0.43) GRM4GPR84
SCHEMBL20745659 0.86 GPR84 (0.43) GRM4GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-03-20 US disclosed
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use ABBVIE INC (US) 2023-06-15 US disclosed
EP-3988555-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2022-04-27 EP disclosed
CN-111818917-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN disclosed
US-20200325153-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use ABBVIE INC (US) 2020-10-15 US disclosed
US-10676485-B2 Macrocyclic MCL-1 inhibitors and methods of use ABBVIE INC. (US) 2020-06-09 US disclosed
EP-3652184-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-05-20 EP disclosed
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-16 US disclosed
WO-2019035911-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 (5 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-10676485-B2 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 KDM4E 1725/4885ALDH1A1 641/4885LMNA 420/4885
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 KDM4E 1519/4885ALDH1A1 724/4885LMNA 495/4885
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 KDM4E 1725/4885ALDH1A1 641/4885LMNA 420/4885
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 KDM4E 1725/4885ALDH1A1 641/4885LMNA 420/4885
US-20200325153-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 KDM4E 1725/4885ALDH1A1 641/4885LMNA 420/4885

“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.