SCHEMBL19284802

SCHEMBL19284802

COC(OC)[C@]1(COc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CCC(F)(F)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL29554048 1.00 ALDH1A1 (0.36) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL19285095 0.90 KMT2A (0.39) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL17542198 0.86 KDM4E (0.36) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29436682 0.86 KDM4E (0.36) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL17542342 0.86 KDM4E (0.36) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29553896 0.85 MAPT (0.37) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL19285289 0.85 MAPT (0.37) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL19285288 0.85 MAPT (0.37) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL23687458 0.85 LMNA (0.36) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29552814 0.85 LMNA (0.36) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 — — US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 — — US disclosed
WO-2017147410-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-08-31 — — 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 (2 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 ALDH1A1 1891/4885MAPT 3153/4885HPGD 2525/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885MAPT 3153/4885HPGD 2525/4885

“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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