SCHEMBL4093439

SCHEMBL4093439

CC([O])Oc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HTR7 P34969 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.36
GRM4 Q14833 1/20 0.36
ACHE P22303 1/20 0.35
LY96 Q9Y6Y9 1/20 0.35

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
SCHEMBL7685092 0.84 HTR1A (0.49) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL29637386 0.84 ADRA2A (0.49) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL248866 0.84 ADRA2A (0.49) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL17386433 0.80 HTR1A (0.46) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL22823665 0.80 HTR1A (0.46) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL5254802 0.79 ADRA2A (0.43) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL5254800 0.79 HTR1A (0.43) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL14476208 0.78 HTR1A (0.45) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL14460702 0.78 HTR1A (0.45) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL12635150 0.78 KMT2A (0.66) HTR1AADRA2AADRA2BADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 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 (4 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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG HTR1A 4770/4885ADRA2A 2931/4885ADRA2B 3208/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG HTR1A 4770/4885ADRA2A 2931/4885ADRA2B 3208/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES HTR1A 4343/4885ADRA2A 2788/4885ADRA2B 3071/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES HTR1A 4343/4885ADRA2A 2788/4885ADRA2B 3071/4885

“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.