SCHEMBL22253607

SCHEMBL22253607

O=C(OCC1(CO)CCCc2c1ccc(Cl)c2F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA5 P30532 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PRKCA P17252 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL22253695 0.82 TDP1 (0.32) KMT2AMEN1ATMPRKCATDP1
SCHEMBL22253653 0.80 AR (0.34) —
SCHEMBL22254481 0.80 TDP1 (0.30) TDP1
SCHEMBL21930331 0.78 SIGMAR1 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL21929993 0.78 SIGMAR1 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL21930080 0.78 SIGMAR1 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL22254519 0.76 SLC6A3 (0.35) SLC6A2SLC6A3
SCHEMBL26731609 0.74 SIGMAR1 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL23109717 0.72 HPGD (0.33) ALDH1A1
SCHEMBL23109718 0.72 HPGD (0.33) ALDH1A1

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
EP-3781574-B1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2023-05-10 — — EP disclosed
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-11-04 — — US disclosed
WO-2020147802-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-23 — — 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 (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-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS MCL1, BCL9, BCL9L CHRNB2 4882/4885CHRNA5 4880/4885CHRNA7 4825/4885

“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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