SCHEMBL23671128

SCHEMBL23671128

COC(OC)C1(COc2cc(F)c(C(=O)O)cc2N)CCCc2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ APLNR P35414 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CPT2 P23786 3/20 0.32
▸ CPT1A P50416 3/20 0.32
▸ CPT1B Q92523 3/20 0.32
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ RXRG P48443 2/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ SRD5A1 P18405 2/20 0.31
▸ SRD5A2 P31213 2/20 0.31

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
SCHEMBL23670689 0.93 KDM4C (0.37) KDM4CMRGPRX4APLNRKDM1ACPT2
SCHEMBL29554530 0.92 ABL1 (0.36) KDM4CKDM1ASCN9A
SCHEMBL23669600 0.91 KDM4C (0.40) KDM4CMRGPRX4KDM1APTGDRPTGDR2
SCHEMBL23669554 0.87 ABL1 (0.36) KDM4CKDM1AGAAPPARGPPARD
SCHEMBL29553798 0.87 ABL1 (0.36) KDM4CKDM1AGAAPPARGPPARD
SCHEMBL23669556 0.87 ABL1 (0.36) KDM4CKDM1AGAAPPARGPPARD
SCHEMBL23669537 0.87 KDM4C (0.35) KDM4CMRGPRX4APLNRCPT2CPT1A
SCHEMBL23442624 0.85 KDM1A (0.39) KDM4CMRGPRX4KDM1ACPT2CPT1A
SCHEMBL23669352 0.83 KDM4C (0.35) KDM4CMRGPRX4APLNRRXRAPTGDR
SCHEMBL23688339 0.83 KDM4E (0.34) KDM4CKDM1AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 — — 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 (1 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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 KDM4C 3483/4885MRGPRX4 3847/4885APLNR 3701/4885

“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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