SCHEMBL9686221

SCHEMBL9686221

COc1cccc(C(OC)OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NFE2L2 Q16236 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.40
TDP2 O95551 1/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL1918798 0.82 CA1 (0.57) ALDH1A1MAPTCA1CA2CA12
SCHEMBL670715 0.82 MEN1 (0.49) SMN1; SMN2ALDH1A1MAPTNFE2L2MEN1
SCHEMBL5393022 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTNFE2L2MEN1
SCHEMBL10451375 0.81 AOC3 (0.53) SMN1; SMN2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL683593 0.81 NFE2L2 (0.47) SMN1; SMN2ALDH1A1MAPTCA1CA2
Hydrochloric Acid SCHEMBL5820053 0.80 MEN1 (0.48) SMN1; SMN2ALDH1A1MAPTNFE2L2MEN1
SCHEMBL28813568 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL18287932 0.79 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL31555954 0.79 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL303153 0.79 MEN1 (0.50) SMN1; SMN2ALDH1A1MAPTCA1CA2

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-12334328-B2 Synchronization of ion generation with cycling of a discontinuous atmospheric interface PURDUE RESEARCH FOUNDATION (US) 2025-06-17 US disclosed
US-20230420236-A1 SYNCHRONIZATION OF ION GENERATION WITH CYCLING OF A DISCONTINUOUS ATMOSPHERIC INTERFACE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2023-12-28 US disclosed
US-11699580-B2 Synchronization of ion generation with cycling of a discontinuous atmospheric interface PURDUE RESEARCH FOUNDATION (US) 2023-07-11 US disclosed
US-20220199384-A9 SYNCHRONIZATION OF ION GENERATION WITH CYCLING OF A DISCONTINUOUS ATMOSPHERIC INTERFACE PURDUE RESEARCH FOUNDATION 2022-06-23 US disclosed
EP-0506231-A1 Smoking composition containing a flavorant-release saccharide additive Philip Morris Products Inc. (US) 1992-09-30 EP disclosed