SCHEMBL4538906

SCHEMBL4538906

Cc1cc(OCc2ccccc2)cc(-c2cccc(Br)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
ALOX5 P09917 1/20 0.44
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.40
BCHE P06276 1/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL26608275 0.82 MAOB (0.50) MAOBALOX5MAPK1ALDH1A1RAB9A
SCHEMBL15984861 0.80 ALOX5 (0.56) MAOBALOX5MAPK1RAB9AMEN1
SCHEMBL4538618 0.79 CCR1 (0.42) FFAR1TSHR
SCHEMBL27032838 0.75 ALDH1A1 (0.58) MAOBALOX5ALDH1A1RAB9AMEN1
SCHEMBL15980692 0.73 ALOX5 (0.50) MAOBALOX5MAPK1RAB9AMEN1
SCHEMBL17594829 0.73 MAOB (0.58) MAOBALOX5BCHERAB9AMEN1
SCHEMBL21256501 0.73 TSHR (0.51) MAOBALOX5MAPK1RAB9AMEN1
SCHEMBL14311057 0.73 ALOX5 (0.49) MAOBALOX5MAPK1ALDH1A1RAB9A
SCHEMBL27032689 0.73 LMNA (0.51) MAOBALOX5MAPK1RAB9AMEN1
SCHEMBL31336268 0.73 HTT (0.49) ALOX5ALDH1A1RAB9AMEN1KMT2A

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-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 EP disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 WO disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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 (1 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 MAOB 828/4885ALOX5 330/4885MAPK1 3081/4885

“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.