SCHEMBL23442624

SCHEMBL23442624

COC(OC)[C@]1(COc2ccc(C(=O)O)cc2N)CCCc2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ MCL1 Q07820 3/20 0.37
▸ MRGPRX4 Q96LA9 5/20 0.37
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL23442629 0.92 USP2 (0.38) KDM1AMRGPRX4PTGDRPTGDR2KDM4C
SCHEMBL23442632 0.90 CYP1A2 (0.38) ALDH1A1MEN1CYP2C19KMT2ANPC1
SCHEMBL23669600 0.86 KDM4C (0.40) KDM1AMCL1MRGPRX4SRD5A1SRD5A2
SCHEMBL17558512 0.86 KDM4E (0.39) TTRKDM4EMAPTALDH1A1POLB
SCHEMBL26314548 0.86 KDM4E (0.39) TTRKDM4EMAPTALDH1A1POLB
SCHEMBL23671128 0.85 KDM4C (0.37) KDM1AMCL1MRGPRX4SRD5A1SRD5A2
SCHEMBL26731640 0.84 CA1 (0.35) KDM1AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23670689 0.83 KDM4C (0.37) KDM1AMRGPRX4SRD5A1SRD5A2PTGDR
SCHEMBL23442626 0.81 KDM1A (0.41) KDM1AMCL1MRGPRX4SRD5A1SRD5A2
SCHEMBL29554530 0.81 ABL1 (0.36) KDM1AKDM4C

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 6 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-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-09-19 — — US disclosed
US-20230013713-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. 2023-01-19 — — 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 (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-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BAK1, BCL3 KDM1A 563/4885MCL1 1/4885MRGPRX4 3784/4885
US-20210179570-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS MCL1, BAK1, BCL3 KDM1A 563/4885MCL1 1/4885MRGPRX4 3784/4885
US-11325891-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BAK1, BCL3 KDM1A 563/4885MCL1 1/4885MRGPRX4 3784/4885
US-20230013713-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS MCL1, BAK1, BCL3 KDM1A 563/4885MCL1 1/4885MRGPRX4 3784/4885

“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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