SCHEMBL15025339

SCHEMBL15025339

Cc1ccc(OCCCO)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 1/20 0.66
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 2/20 0.63
L3MBTL1 Q9Y468 7/20 0.62
KDM4E B2RXH2 6/20 0.62
TDP1 Q9NUW8 5/20 0.62
MAPT P10636 5/20 0.62
HPGD P15428 5/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 1/20 0.59
GAA P10253 2/20 0.56
USP2 O75604 1/20 0.56
PRKAG1 P54619 1/20 0.54
PRKAA1 Q13131 1/20 0.54

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
SCHEMBL16834317 0.89 L3MBTL1 (0.75) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL7641709 0.84 KDM4E (0.69) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL10458651 0.84 CYP1A2 (0.63) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL12603165 0.84 L3MBTL1 (0.69) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL14314645 0.82 L3MBTL1 (0.72) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL15667351 0.81 TDP1 (0.66) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL11443005 0.81 MAPK1 (0.52) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL21558830 0.81 MAPT (0.66) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL11963241 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL28941901 0.81 L3MBTL1 (0.79) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355669-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-12-14 US disclosed
US-9682927-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-06-20 US disclosed
US-20160362362-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2016-12-15 US disclosed
US-9388125-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2016-07-12 US disclosed
US-20130149244-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2013-06-13 US disclosed
US-20130149244-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2013-06-13 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 (3 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-20160362362-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP1A2 2650/4885CYP2C19 3728/4885CYP2D6 3605/4885
US-20130149244-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP1A2 2650/4885CYP2C19 3728/4885CYP2D6 3605/4885
US-20170355669-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP1A2 2650/4885CYP2C19 3728/4885CYP2D6 3605/4885

“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.