SCHEMBL658726

SCHEMBL658726

O=C(CI)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PABPC1 P11940 1/20 0.48
HSD11B1 P28845 1/20 0.47

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
SCHEMBL10020269 0.87 GSK3B (0.76) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL5254933 0.83 GSK3B (0.67) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL18155961 0.82 GSK3B (0.59) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL19011895 0.81 GSK3B (0.61) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL16552727 0.80 GSK3B (0.70) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL600674 0.80 ERCC5 (0.72) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL17158521 0.79 GSK3B (0.55) GSK3BL3MBTL1MAPTALDH1A1LMNA
SCHEMBL953871 0.78 GSK3B (1.00) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL28443057 0.78 GSK3B (0.64) GSK3BL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL260152 0.78 GSK3B (0.67) GSK3BL3MBTL1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164418-B Alpha-halogenated ketone, efficient synthesis method and application thereof 徐州医科大学 2024-07-02 CN disclosed
CN-117164418-A Alpha-halogenated ketone, efficient synthesis method and application thereof 徐州医科大学 2023-12-05 CN disclosed
WO-2023115621-A1 METHOD FOR PREPARING Α-HALOGENATED ACETOPHENONE COMPOUND UNDER CATALYSIS OF IONIC LIQUID [TEA][TFOH]2 大连大学 2023-06-29 WO disclosed
US-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-02-23 US disclosed
WO-2010071826-A2 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-24 WO disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-RE29153-E HERBICIDES, INSECTICIDES MONSANTO COMPANY (US) 1977-03-15 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-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF CTSB, SOST, CTSG GSK3B 1851/4885L3MBTL1 3735/4885MAPT 3657/4885

“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.