SCHEMBL2171127

SCHEMBL2171127

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 3/20 0.40
EGFR P00533 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GFER P55789 1/20 0.38
HSP90AB1 P08238 1/20 0.36
CASP3 P42574 2/20 0.36
HKDC1 Q2TB90 2/20 0.35
CCR6 P51684 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HK1 P19367 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRNP P04156 1/20 0.35
PARP1 P09874 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL2172628 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL27828546 0.78 MIF (0.38) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL14186623 0.78 GAA (0.46) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL2172099 0.78 LRRK2 (0.42) L3MBTL1LMNAMAPT
SCHEMBL2174539 0.77 GAA (0.39) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL24097694 0.76 EGFR (0.55) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL30883124 0.75 P2RX7 (0.45) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL909006 0.75 P2RX7 (0.45) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL19925456 0.75 SMN1; SMN2 (0.42) 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
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO 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

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.