SCHEMBL5883487

SCHEMBL5883487

COC(=O)CCCCC=C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 3/20 0.47
EPHX2 P34913 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.39
PRKCA P17252 2/20 0.39
TBXAS1 P24557 1/20 0.37
KAT2B Q92831 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5883433 0.98 LMNA (0.50) LMNAALDH1A1TSHREPHX2KMT2A
SCHEMBL10938684 0.97 LMNA (0.53) LMNAALDH1A1TSHREPHX2KMT2A
SCHEMBL10780206 0.97 LMNA (0.53) LMNAALDH1A1TSHREPHX2KMT2A
SCHEMBL5883668 0.97 ALDH1A1 (0.51) LMNAALDH1A1TSHREPHX2KMT2A
SCHEMBL493858 0.86 TSHR (0.43) LMNAALDH1A1TSHREPHX2KMT2A
SCHEMBL14323854 0.80 PAOX (0.38) ALDH1A1KMT2APRKCAMEN1
SCHEMBL14322624 0.77 FAAH (0.35) LMNAKMT2ARECQLMEN1USP2
SCHEMBL7153486 0.76 LMNA (0.49) LMNAALDH1A1TSHREPHX2KMT2A
SCHEMBL7153487 0.76 LMNA (0.49) LMNAALDH1A1TSHREPHX2KMT2A
SCHEMBL10777080 0.75 MAPT (0.47) LMNATSHRKMT2ARECQLUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 3674/4885ALDH1A1 923/4885TSHR 340/4885

“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.