SCHEMBL19974442

SCHEMBL19974442

CC(C)(C)OC(=O)n1cccc1CCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
BCHE P06276 1/20 0.42
FAAH O00519 1/20 0.41
BUB1 O43683 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
POLB P06746 1/20 0.35
ABCB1 P08183 1/20 0.35
HTR6 P50406 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TNK2 Q07912 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL2628927 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL445392 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL445394 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL14949338 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL23303726 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL6951565 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL7361304 0.78 HSP90AA1 (0.49) HSP90AA1HSP90AB1BCHEFAAHBUB1
SCHEMBL2616414 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL2466359 0.78 HSP90AA1 (0.39) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL8293842 0.78 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEFAAHBUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512858-B1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-11-08 EP disclosed
CN-109715634-B Fused bicyclic inhibitors of MENIN-MLL interaction 詹森药业有限公司 2022-09-27 CN disclosed
US-10975100-B2 Fused bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-20200172556-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-10611778-B2 Fused bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
EP-3512858-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION Janssen Pharmaceutica NV (BE) 2019-07-24 EP disclosed
US-20190218230-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION Janssen Pharmaceultica nv (BE) 2019-07-18 US disclosed
WO-2018050684-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2018-03-22 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 (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-20190218230-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION MLLT1, BMI1, MEN1 HSP90AA1 3918/4885HSP90AB1 3596/4885BCHE 4132/4885
US-10611778-B2 Fused bicyclic inhibitors of menin-MLL interaction MLLT1, BMI1, MEN1 HSP90AA1 3918/4885HSP90AB1 3596/4885BCHE 4132/4885
US-20200172556-A1 FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION MLLT1, BMI1, MEN1 HSP90AA1 3918/4885HSP90AB1 3596/4885BCHE 4132/4885
US-10975100-B2 Fused bicyclic inhibitors of menin-MLL interaction MLLT1, BMI1, MEN1 HSP90AA1 3918/4885HSP90AB1 3596/4885BCHE 4132/4885

“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.