SCHEMBL5865837

SCHEMBL5865837

OC(c1ccccc1)C(F)(F)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
LMNA P02545 5/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 1/20 0.42
ADORA2A P29274 2/20 0.42
TSHR P16473 1/20 0.41
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL5865836 0.87 IDO1 (0.46) AOC3LMNAMAPK1TSHRADRA2A
SCHEMBL5865838 0.87 IDO1 (0.46) AOC3LMNAMAPK1TSHRADRA2A
SCHEMBL5334248 0.86 AOC3 (0.41) AOC3LMNACES2CES1MAPK1
SCHEMBL3077737 0.84 AOC3 (0.47) AOC3LMNACES2CES1MAPK1
SCHEMBL44838 0.84 AOC3 (0.47) AOC3LMNACES2CES1MAPK1
SCHEMBL1669527 0.84 AOC3 (0.47) AOC3LMNACES2CES1MAPK1
SCHEMBL2229096 0.80 AOC3 (0.44) AOC3LMNACES2CES1MAPK1
SCHEMBL9064993 0.80 LMNA (0.45) AOC3LMNACES2CES1MAPK1
SCHEMBL25119768 0.78 TSHR (0.44) AOC3LMNACES2CES1MAPK1
SCHEMBL10040021 0.78 LMNA (0.43) AOC3LMNACES2CES1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US claimed
WO-2004063129-A2 METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-07-29 WO claimed
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 US disclosed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US disclosed
WO-2004063129-A2 METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-07-29 WO 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-20040230079-A1 Methods for nucleophilic fluoromethylation PHF2, HAO2, GSTM2 AOC3 141/4885LMNA 4803/4885CES2 187/4885

“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.