SCHEMBL2172099

SCHEMBL2172099

COC(=O)Cc1cc(OCc2ccccc2)c2cc(F)ccc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.42
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.40
PPIA P62937 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
BRD4 O60885 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PTGER1 P34995 1/20 0.39
USP2 O75604 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
SCHEMBL2176856 0.88 MRGPRX4 (0.43) LRRK2FFAR4FFAR1LMNAMAPT
SCHEMBL28793963 0.83 ALDH1A1 (0.46) LRRK2FFAR4FFAR1LMNAMAPT
SCHEMBL28085585 0.81 FFAR4 (0.49) LRRK2FFAR4FFAR1LMNAMAPT
SCHEMBL2175029 0.79 LMNA (0.43) LRRK2FFAR4FFAR1LMNAMAPT
SCHEMBL2171127 0.78 ALDH1A1 (0.41) LMNAMAPTL3MBTL1
SCHEMBL2988197 0.76 L3MBTL1 (0.56) LMNAMAPTL3MBTL1BRD4PTGER1
SCHEMBL31757763 0.76 L3MBTL1 (0.56) LMNAMAPTL3MBTL1BRD4PTGER1
SCHEMBL27847198 0.75 L3MBTL1 (0.40) LRRK2FFAR4FFAR1LMNAMAPT
SCHEMBL31528182 0.75 SMPD1 (0.50) LRRK2LMNAL3MBTL1SMPD1HDAC1
SCHEMBL29284729 0.74 LMNA (0.52) LRRK2LMNASMPD1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 LRRK2 3818/4885FFAR4 116/4885FFAR1 15/4885

“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.