SCHEMBL2200692

SCHEMBL2200692

CC1(C)CC(CCCBr)CCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 3/20 0.31
POLB P06746 2/20 0.31
SCN5A Q14524 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2198965 0.95 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL2198430 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL2197698 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL2199692 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL2198468 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL2200064 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL26644577 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL30837753 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL482132 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL22152597 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
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-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 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
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 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
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
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US 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
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US 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
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 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 (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 ALDH1A1 2313/4885KDM4E 3304/4885GAA 1133/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R ALDH1A1 2313/4885KDM4E 3304/4885GAA 1133/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 ALDH1A1 1673/4885KDM4E 4586/4885GAA 2861/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ALDH1A1 2313/4885KDM4E 3304/4885GAA 1133/4885

“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.