SCHEMBL23442105

SCHEMBL23442105

COC(OC)[C@]1(COC(C)=O)CCCc2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MCL1 Q07820 6/20 0.34
▸ SRD5A1 P18405 3/20 0.33
▸ SRD5A2 P31213 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BCL2L11 O43521 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL26314795 0.90 KDM1A (0.38) KDM1AKDM4CSIGMAR1SMN1; SMN2MCL1
SCHEMBL17542359 0.83 KDM1A (0.44) KDM1AKDM4CSIGMAR1MCL1SRD5A1
SCHEMBL17542361 0.83 KDM1A (0.44) KDM1AKDM4CSIGMAR1MCL1SRD5A1
SCHEMBL17542298 0.83 KDM1A (0.44) KDM1AKDM4CSIGMAR1MCL1SRD5A1
SCHEMBL26858688 0.81 HRH3 (0.40) SIGMAR1SMN1; SMN2HPGD
SCHEMBL23480816 0.79 KDM1A (0.38) KDM1AKDM4CSIGMAR1MCL1
SCHEMBL23442097 0.78 KDM1A (0.41) KDM1AKDM4CSIGMAR1SMN1; SMN2MCL1
SCHEMBL23442101 0.78 KDM1A (0.41) KDM1AKDM4CSIGMAR1SMN1; SMN2MCL1
SCHEMBL23442624 0.77 KDM1A (0.39) KDM1AKDM4CSMN1; SMN2MCL1SRD5A1
SCHEMBL23386596 0.77 SLC6A15 (0.39) KDM1AKDM4CPTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-09-19 — — US disclosed
US-11325891-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2022-05-10 — — US disclosed
US-20210179570-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. 2021-06-17 — — US disclosed
WO-2021108254-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-06-03 — — 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 (3 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-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BAK1, BCL3 KDM1A 563/4885KDM4C 2667/4885SIGMAR1 4148/4885
US-20210179570-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS MCL1, BAK1, BCL3 KDM1A 563/4885KDM4C 2667/4885SIGMAR1 4148/4885
US-11325891-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BAK1, BCL3 KDM1A 563/4885KDM4C 2667/4885SIGMAR1 4148/4885

“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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