SCHEMBL23687201

SCHEMBL23687201

CCOC(=O)c1cc([N+](=O)[O-])c(OC[C@@]2(C(OC)OC)CCCc3cc(Cl)ccc32)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ GALR2 O43603 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL29553282 1.00 MAPT (0.34) MAPTLMNAALDH1A1NPSR1TDP1
SCHEMBL19284883 0.90 KDM4C (0.38) MAPTLMNAALDH1A1TDP1ALOX12
SCHEMBL26314541 0.88 KMT2A (0.40) MAPTLMNAALDH1A1ALOX12POLB
SCHEMBL23688339 0.87 KDM4E (0.34) MAPTALDH1A1TDP1HPGDMEN1
SCHEMBL29552537 0.85 TDP1 (0.36) MAPTLMNAALDH1A1TDP1POLB
SCHEMBL19285180 0.85 TDP1 (0.36) MAPTLMNAALDH1A1TDP1POLB
SCHEMBL23669537 0.84 KDM4C (0.35) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL26314543 0.82 ALDH1A1 (0.39) MAPTLMNAALDH1A1NPSR1POLB
SCHEMBL23669821 0.82 TDP1 (0.38) MAPTLMNAALDH1A1TDP1POLB
SCHEMBL23669822 0.82 TDP1 (0.38) MAPTLMNAALDH1A1TDP1POLB

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 2 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

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 MAPT 3153/4885LMNA 1191/4885ALDH1A1 1891/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 MAPT 3153/4885LMNA 1191/4885ALDH1A1 1891/4885

“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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