SCHEMBL862383

SCHEMBL862383

CCOC(=O)c1cc(C)cc(CBr)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
S1PR2 O95136 1/20 0.44
KDM4E B2RXH2 4/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL22854579 0.86 ALDH1A1 (0.50) CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL862162 0.85 CYP1A2 (0.50) CYP1A2ALDH1A1SMN1; SMN2S1PR2KDM4E
SCHEMBL862340 0.84 CYP1A2 (0.66) CYP1A2ALDH1A1SMN1; SMN2S1PR2KDM4E
SCHEMBL1179433 0.81 NOS2 (0.49) CYP1A2ALDH1A1SMN1; SMN2S1PR2KDM4E
SCHEMBL22335927 0.79 CYP1A2 (0.44) CYP1A2ALDH1A1SMN1; SMN2S1PR2KDM4E
SCHEMBL862555 0.79 CYP1A2 (0.44) CYP1A2ALDH1A1SMN1; SMN2S1PR2KDM4E
SCHEMBL2395812 0.78 CYP1A2 (0.43) CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL2108801 0.77 CYP1A2 (0.72) CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL14825220 0.77 CYP1A2 (0.49) CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL21200211 0.77 CYP1A2 (0.42) CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 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 (2 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 CYP1A2 4875/4885ALDH1A1 4649/4885SMN1; SMN2 3423/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CYP1A2 4875/4885ALDH1A1 4649/4885SMN1; SMN2 3423/4885

“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.