SCHEMBL20972747

SCHEMBL20972747

O=C(O)N1CC(COC[C@H]2COCCO2)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
PDK1 Q15118 3/20 0.31
FEN1 P39748 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
PPARG P37231 1/20 0.30
TSHR P16473 1/20 0.30
CYP11B2 P19099 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
SCHEMBL20972672 1.00 MAPT (0.33) MAPTKDM4EALDH1A1LMNACHRM2
SCHEMBL20972674 1.00 MAPT (0.33) MAPTKDM4EALDH1A1LMNACHRM2
SCHEMBL28900194 0.81 USP2 (0.44) MAPTKDM4EALDH1A1CHRM2CHRM4
SCHEMBL28474335 0.81 USP2 (0.44) MAPTKDM4EALDH1A1CHRM2CHRM4
SCHEMBL28474334 0.81 USP2 (0.44) MAPTKDM4EALDH1A1CHRM2CHRM4
SCHEMBL9278052 0.77 CHRM2 (0.48) MAPTKDM4EALDH1A1LMNACHRM2
SCHEMBL20745475 0.76 KDM4E (0.32) MAPTKDM4EALDH1A1LMNA
SCHEMBL20745995 0.76 KDM4E (0.32) MAPTKDM4EALDH1A1LMNA
SCHEMBL18183280 0.73 TSHR (0.48) MAPTKDM4EALDH1A1LMNACHRM2
SCHEMBL5090025 0.73 TSHR (0.48) MAPTKDM4EALDH1A1LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-10676485-B2 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 MAPT 4497/4885KDM4E 1725/4885ALDH1A1 641/4885
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 MAPT 4540/4885KDM4E 1519/4885ALDH1A1 724/4885
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 MAPT 4497/4885KDM4E 1725/4885ALDH1A1 641/4885
US-20200325153-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 MAPT 4497/4885KDM4E 1725/4885ALDH1A1 641/4885

“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.