SCHEMBL23032100

SCHEMBL23032100

CC(C)(C)c1nccc(-c2ccccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
MPL P40238 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RAB9A P51151 2/20 0.39
GRM2 Q14416 1/20 0.39
IDO1 P14902 1/20 0.38
CNR2 P34972 1/20 0.37
KMO O15229 1/20 0.36
MAP4K1 Q92918 2/20 0.36
FEN1 P39748 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL15196256 0.77 NPC1 (0.47) NPC1MPLL3MBTL1CASP3SENP8
SCHEMBL28296096 0.77 NPC1 (0.50) NPC1MPLL3MBTL1CASP3SENP8
SCHEMBL7813577 0.75 ADORA2A (0.53) L3MBTL1RAB9AKMOGABRA1GABRG2
SCHEMBL12775440 0.74 ATR (0.38) L3MBTL1KMOKDM4EADORA2A
SCHEMBL2354237 0.74 NPC1 (0.47) NPC1MPLL3MBTL1CASP3SENP8
SCHEMBL30353577 0.74 FEN1 (0.57) NPC1MPLRAB9AFEN1KDM4E
SCHEMBL2350242 0.74 NPC1 (0.47) NPC1MPLL3MBTL1CASP3SENP8
SCHEMBL10220352 0.74 KDM4E (0.55) NPC1L3MBTL1RAB9AKDM4ETDP1
SCHEMBL5140478 0.74 FEN1 (0.57) NPC1MPLRAB9AFEN1KDM4E
SCHEMBL3573674 0.73 LMNA (0.50) NPC1MPLL3MBTL1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 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 (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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 NPC1 930/4885MPL 303/4885L3MBTL1 4883/4885

“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.