SCHEMBL2199616

SCHEMBL2199616

BrCCCCC1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 3/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL2198455 0.94 EPHX1 (0.45) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2198239 0.93
SCHEMBL7786789 0.92 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL5361321 0.92 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL20597382 0.92 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL15104972 0.89
SCHEMBL2197798 0.87 EPHX1 (0.42) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL3684347 0.86 EPHX1 (0.60) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL13294283 0.86 EPHX1 (0.60) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL30688061 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 WO disclosed
US-4581372-A ANTIBODY STIMULANTS;IMMUNOLOGY TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1986-04-08 US disclosed
US-4340543-A ANTICANCER AGENTS, ANTITUMOR AGENTS, IMMUNOSTIMULANTS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1982-07-20 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 (4 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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R EPHX1 372/4885LMNA 4732/4885POLB 2926/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R EPHX1 372/4885LMNA 4732/4885POLB 2926/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 EPHX1 75/4885LMNA 2432/4885POLB 416/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R EPHX1 372/4885LMNA 4732/4885POLB 2926/4885

“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.