SCHEMBL2172628

SCHEMBL2172628

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
GLA P06280 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 3/20 0.41
CASP3 P42574 2/20 0.39
EGFR P00533 2/20 0.39
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSP90AB1 P08238 1/20 0.37
PRNP P04156 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PARP1 P09874 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
SCHEMBL2172316 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL2171127 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL709958 0.80 PTGDR2 (0.45) ALDH1A1KDM4EGLAHPGDCASP3
SCHEMBL11479610 0.79 SLC6A2 (0.45) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL14186623 0.79 GAA (0.46) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL27828549 0.78 MIF (0.39) ALDH1A1KDM4EL3MBTL1HSD17B10LMNA
SCHEMBL24097694 0.77 EGFR (0.55) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL2176856 0.77 MRGPRX4 (0.43) L3MBTL1LMNAMAPTPLA2G2A
SCHEMBL21617920 0.77 KDM4E (0.50) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL2174233 0.76 HSP90AB1 (0.49) ALDH1A1KDM4EGLAHPGDGAA

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
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
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 ALDH1A1 746/4885KDM4E 4342/4885GLA 892/4885

“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.