SCHEMBL5883430

SCHEMBL5883430

CC(C)=CCCCCCBr

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
SQLE Q14534 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL10596935 1.00 KMT2A (0.39) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL10542200 0.97
SCHEMBL10543714 0.95 KMT2A (0.39) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL4574808 0.89
SCHEMBL8078444 0.83 KMT2A (0.50) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL31399505 0.78 DGKA (0.44) CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL31399494 0.78 DGKA (0.44) CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL18026775 0.78 SQLE (0.44) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL230243 0.77
SCHEMBL9633770 0.77 KMT2A (0.67) KMT2AMEN1CYP3A4ALOX15SQLE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070194277-A1 LIGHT EMITTING POLYMER O'NEILL MARY 2007-08-23 US disclosed
US-7091357-B2 Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2006-08-15 US disclosed
US-20030225142-A1 Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-12-04 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 (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-20030225142-A1 Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies CHRNA4, CHRNA2, CHRNA5 KMT2A 2143/4885MEN1 4484/4885CYP3A4 1109/4885

“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.