SCHEMBL2176596

SCHEMBL2176596

COC(=O)c1cc(O)c2cc(Br)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
KDM4E B2RXH2 3/20 0.51
XDH P47989 2/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
GFER P55789 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
FUT7 Q11130 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL2390195 0.84 PTPN11 (0.54) LMNACA12CA1CA2CA7
SCHEMBL2172514 0.81 LCK (0.55) LCKKDM4EXDHLMNATDP1
SCHEMBL741272 0.81 LCK (0.55) LCKKDM4EXDHLMNATDP1
SCHEMBL1844411 0.81 LCK (0.55) LCKKDM4EXDHLMNATDP1
SCHEMBL27619808 0.80 PRMT1 (0.59) KDM4ELMNATDP1L3MBTL1POLB
SCHEMBL7481932 0.79 NSD2 (0.54) LCKKDM4EXDHLMNATDP1
SCHEMBL161776 0.79 LMNA (0.56) LCKKDM4EXDHLMNATDP1
SCHEMBL181238 0.78 PLAU (0.61) LCKKDM4EXDHLMNATDP1
SCHEMBL30369699 0.78 PLAU (0.61) LCKKDM4EXDHLMNATDP1
SCHEMBL1353470 0.77 PLAU (0.56) LCKKDM4EXDHLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216265-B Naphthylacetic acid HOFFMANN LA ROCHE 2014-04-30 CN 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
CN-102216265-A Naphthylacetic acid HOFFMANN LA ROCHE 2011-10-12 CN 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

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 LCK 4250/4885KDM4E 4342/4885XDH 418/4885

“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.