SCHEMBL29414622

SCHEMBL29414622

CC(C)(C)OC(=O)c1ccc(OCC2(CO)CCOc3cc(Cl)ccc32)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL22894770 1.00 MAPT (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL27152060 0.88 KDM4E (0.41) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL19284747 0.87 MAPT (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL19284743 0.87 MAPT (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL29554351 0.87 MAPT (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL29414575 0.87 MAPT (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL23669414 0.86 KDM4E (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL29553244 0.86 KDM4E (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL23670742 0.86 KDM4E (0.39) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL19285159 0.86 KDM4E (0.39) MAPTKMT2AMEN1KDM4EPOLB

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-20240067660-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-02-29 — — US disclosed
CN-114096546-A Macrocyclic spirocyclic derivatives useful as MCL-1 inhibitors 詹森药业有限公司 2022-02-25 — — CN 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-20240067660-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 MAPT 3918/4885KMT2A 1986/4885MEN1 269/4885

“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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