SCHEMBL23670425

SCHEMBL23670425

COC(OC)C1(COc2ccc(C(=O)O)cc2[N+](=O)[O-])CCOc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAP3K14 Q99558 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PLA2G4B P0C869 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ HNF4A P41235 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HCAR3 P49019 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TTR P02766 1/20 0.36

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
SCHEMBL19285289 0.90 MAPT (0.37) MAPTMEN1KMT2AMAP3K14ALDH1A1
SCHEMBL29553896 0.90 MAPT (0.37) MAPTMEN1KMT2AMAP3K14ALDH1A1
SCHEMBL19285288 0.90 MAPT (0.37) MAPTMEN1KMT2AMAP3K14ALDH1A1
SCHEMBL19285095 0.84 KMT2A (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL17558512 0.84 KDM4E (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL26314548 0.84 KDM4E (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27152060 0.83 KDM4E (0.41) MAPTMEN1KMT2AMAP3K14ALDH1A1
SCHEMBL23670205 0.83 KMT2A (0.40) MAPTMEN1KMT2AMAP3K14ALDH1A1
SCHEMBL21930313 0.78 SMN1; SMN2 (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL21930023 0.78 ALDH1A1 (0.38) MAPTMEN1KMT2AMAP3K14ALDH1A1

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 MAPT 3153/4885MEN1 999/4885KMT2A 1766/4885

“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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