SCHEMBL2199692

SCHEMBL2199692

CC1(C)CC(CBr)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.34
KCNH2 Q12809 3/20 0.33
SCN5A Q14524 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2198430 0.83 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL2200692 0.80 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL8579946 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL1192092 0.80 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL26257709 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL24575061 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL2198965 0.79 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL1440711 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL13008983 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL2223320 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAMAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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-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
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 (5 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 2313/4885MAPT 3450/4885KDM4E 3304/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R ALDH1A1 2313/4885MAPT 3450/4885KDM4E 3304/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 ALDH1A1 1673/4885MAPT 4858/4885KDM4E 4586/4885
US-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 ALDH1A1 2085/4885MAPT 3110/4885KDM4E 2012/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ALDH1A1 2313/4885MAPT 3450/4885KDM4E 3304/4885

“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.