SCHEMBL13318901

SCHEMBL13318901

COCC(CF)OSc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA2 P00918 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL13318905 0.81 LMNA (0.41) MAPTKMT2AMAOAKDM4E
SCHEMBL13350794 0.79 TRPA1 (0.32) MAOAMAOB
SCHEMBL13318896 0.79 ALDH1A1 (0.31) ALDH1A1MAPK1MAPT
SCHEMBL13318898 0.70 ALDH1A1 (0.34) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL15510892 0.70 KCNH2 (0.33) ALDH1A1MAPK1MAOAMAOB
SCHEMBL14747940 0.68 PPARG (0.34) ALDH1A1MAPK1MAPTMAOAMAOB
SCHEMBL1846375 0.68 MEN1 (0.40) MAPTMEN1KMT2ACA2KDM4E
SCHEMBL15511005 0.68 ALDH1A1 (0.32) ALDH1A1MAPK1MAOAMAOB
SCHEMBL15510589 0.68 KCNH2 (0.31) MAOAMAOB
SCHEMBL21035917 0.66 MAOA (0.40) ALDH1A1MAPK1MAPTMAOAMAOB

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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS ALDH1A1 1367/4885MAPK1 3630/4885MAPT 4553/4885

“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.