SCHEMBL20972707

SCHEMBL20972707

OCc1ccnc(-c2cccc(OC[C@H]3COCCO3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
GRM4 Q14833 7/20 0.40
PIK3CD O00329 6/20 0.39
PIK3CA P42336 6/20 0.39
PPARG P37231 1/20 0.38
CYP11B2 P19099 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
ROCK2 O75116 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20972586 1.00 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL20972584 1.00 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL20745889 0.87 KDM4E (0.42) ALDH1A1GRM4PPARGGPR84TDP1
SCHEMBL22262546 0.87 KDM4E (0.42) ALDH1A1GRM4PPARGGPR84TDP1
SCHEMBL20745078 0.87 KDM4E (0.42) ALDH1A1GRM4PPARGGPR84TDP1
SCHEMBL20745906 0.87 KDM4E (0.42) ALDH1A1GRM4PPARGGPR84TDP1
SCHEMBL20745891 0.87 KDM4E (0.42) ALDH1A1GRM4PPARGGPR84TDP1
SCHEMBL20745662 0.80 GPR84 (0.43) GRM4GPR84
SCHEMBL20745659 0.80 GPR84 (0.43) GRM4GPR84
SCHEMBL20745696 0.80 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 7 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
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-16 US 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 ALDH1A1 641/4885TP53 41/4885CYP3A4 3215/4885
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 ALDH1A1 724/4885TP53 41/4885CYP3A4 3207/4885
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 ALDH1A1 641/4885TP53 41/4885CYP3A4 3215/4885
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 641/4885TP53 41/4885CYP3A4 3215/4885
US-20200325153-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 ALDH1A1 641/4885TP53 41/4885CYP3A4 3215/4885

“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.