SCHEMBL21112874

SCHEMBL21112874

CC(C)CC(=O)C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.44
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
SLC25A5 P05141 1/20 0.34
PDE4D Q08499 2/20 0.33
HCRTR2 O43614 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL6140768 0.84
SCHEMBL2614672 0.78 ALDH1A1 (0.39) ALDH1A1TDP1SMN1; SMN2SLC25A5CA2
SCHEMBL5909830 0.78 CES2 (0.44) ALDH1A1TDP1SMN1; SMN2SLC25A5
SCHEMBL1226668 0.77 SMN1; SMN2 (0.39) ALDH1A1TDP1SMN1; SMN2SLC25A5CA2
SCHEMBL3602581 0.76 POLB (0.39) PIK3CDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27492997 0.75 SMN1; SMN2 (0.38) ALDH1A1TDP1SMN1; SMN2SLC25A5PDE4D
SCHEMBL30724425 0.75 PIK3CD (0.34) PIK3CDSMN1; SMN2
SCHEMBL12449177 0.75 PIK3CD (0.38) PIK3CDALDH1A1SMN1; SMN2HCRTR2
SCHEMBL14883717 0.73 CCNT1 (0.38) ALDH1A1TDP1SMN1; SMN2
SCHEMBL3596679 0.73 PIK3CD (0.37) PIK3CDALDH1A1TDP1HCRTR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084462-B2 Spiro bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2024-09-10 US disclosed
US-20220227786-A1 Spiro Bicyclic Inhibitors Of Menin-MLL Interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-21 US disclosed
US-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-01-11 US disclosed
EP-3512857-B1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2019-07-11 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 (4 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-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction BMI1, MLLT1, MEN1 PIK3CD 3542/4885ALDH1A1 1647/4885TDP1 4441/4885
US-12084462-B2 Spiro bicyclic inhibitors of menin-MLL interaction BMI1, MLLT1, MEN1 PIK3CD 3298/4885ALDH1A1 2638/4885TDP1 4083/4885
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, MEN1 PIK3CD 3298/4885ALDH1A1 2638/4885TDP1 4083/4885
US-20220227786-A1 Spiro Bicyclic Inhibitors Of Menin-MLL Interaction BMI1, MLLT1, MEN1 PIK3CD 3298/4885ALDH1A1 2638/4885TDP1 4083/4885

“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.