SCHEMBL2176856

SCHEMBL2176856

COC(=O)Cc1cc(OCc2ccccc2)c2cc(F)ccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 2/20 0.41
LMNA P02545 1/20 0.41
DHODH Q02127 1/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.41
PPIA P62937 1/20 0.41
PLA2G2A P14555 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
STAT3 P40763 1/20 0.40
LRRK2 Q5S007 1/20 0.40
PTGER1 P34995 1/20 0.40

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
SCHEMBL2172099 0.88 LRRK2 (0.42) MRGPRX4MAPTL3MBTL1FFAR4FFAR1
SCHEMBL27847218 0.83 ALDH1A1 (0.47) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL28085585 0.82 FFAR4 (0.49) MRGPRX4MAPTL3MBTL1FFAR4FFAR1
SCHEMBL710337 0.81 PTGDR2 (0.48) LMNADHODHPLA2G2A
SCHEMBL2175029 0.80 LMNA (0.43) MRGPRX4MAPTL3MBTL1FFAR4FFAR1
SCHEMBL2172628 0.77 ALDH1A1 (0.48) MAPTL3MBTL1LMNAPLA2G2A
SCHEMBL31757763 0.76 L3MBTL1 (0.56) MAPTL3MBTL1TDP1LMNABRD4
SCHEMBL2988197 0.76 L3MBTL1 (0.56) MAPTL3MBTL1TDP1LMNABRD4
SCHEMBL709966 0.76 PLA2G2A (0.46) L3MBTL1NPC1PLA2G2A
SCHEMBL18066392 0.74 FFAR4 (0.48) MRGPRX4MAPTL3MBTL1MAPK1TDP1

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
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
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

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 MRGPRX4 40/4885MAPT 4671/4885L3MBTL1 4726/4885

“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.