SCHEMBL22475331

SCHEMBL22475331

Nc1ccc(CCO)nc1OCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MBOAT4 Q96T53 4/20 0.36
TKT P29401 2/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ADORA2A P29274 1/20 0.33
PIK3CA P42336 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
SCHEMBL22475338 0.81 MBOAT4 (0.36) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL22475306 0.81 MBOAT4 (0.39) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL24251660 0.74 L3MBTL1 (0.42) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL17490419 0.74 MAPT (0.42) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL21756757 0.74 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL29392742 0.74 L3MBTL1 (0.42) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL21756758 0.70 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL11441604 0.67 SCN9A (0.50) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL16931357 0.66 MAP4K4 (0.49) ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL22475329 0.66 HRH3 (0.49) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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-20210009613-A1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-01-14 US disclosed
EP-3715350-A1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2020-09-30 EP 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-20210009613-A1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY ALK, SKP1, ROS1 ALDH1A1 1138/4885MAPT 3200/4885L3MBTL1 1240/4885

“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.