SCHEMBL10071706

SCHEMBL10071706

Cc1ccc(C(O)CCC2OCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.33
RIPK1 Q13546 1/20 0.33
TSHR P16473 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ACHE P22303 1/20 0.31
ALOX5 P09917 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27228195 0.83 ACHE (0.41) GRIN2BALDH1A1ACHEALOX5L3MBTL1
SCHEMBL27232066 0.83 ACHE (0.41) GRIN2BALDH1A1ACHEALOX5L3MBTL1
SCHEMBL10042379 0.82 RIPK1 (0.46) ALOX15RIPK1MEN1KMT2AKDM4E
SCHEMBL639679 0.79 ADRB1 (0.36) GRIN2BTSHRPDE4APDE4BPDE4C
SCHEMBL3389847 0.77 MEN1 (0.45) MEN1KMT2A
SCHEMBL10021099 0.75 KMT2A (0.43) GRIN2BALDH1A1HTTTSHRMEN1
SCHEMBL7040571 0.74 LMNA (0.39) ALDH1A1MAPTALOX15HTTPDE4A
SCHEMBL639359 0.73 ESR1 (0.35) ALDH1A1SLC6A3MEN1KMT2AKDM4E
SCHEMBL5069844 0.72 AOC3 (0.39) GRIN2BALDH1A1ALOX15SLC6A3MEN1
SCHEMBL25435083 0.71 STAT3 (0.33) ALDH1A1ACHEALOX5L3MBTL1

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-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 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-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX GRIN2B 1352/4885ALDH1A1 559/4885MAPT 4273/4885

“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.