SCHEMBL5439347

SCHEMBL5439347

CC1=C(CCC(C)CCCC(C)C/C=N/CCO)C(C)(C)CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
TRPA1 O75762 5/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
RARA P10276 1/20 0.33
RXRA P19793 1/20 0.33
ALOX5 P09917 1/20 0.31
ALOX15 P16050 1/20 0.31
PDCD1 Q15116 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL5439349 1.00 MEN1 (0.39) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL5441829 0.81 TRPA1 (0.40) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL5441832 0.81 TRPA1 (0.40) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL5442565 0.80 RARB (0.37) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL21574083 0.79 MEN1 (0.46) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL12880518 0.76 PTPN1 (0.48) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL3148661 0.75 MEN1 (0.44) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL15082353 0.74 RARB (0.41) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL3414622 0.74 RARB (0.41) MEN1KMT2ALMNATRPA1ALDH1A1
SCHEMBL15435465 0.73 ALDH1A1 (0.38) MEN1KMT2ALMNATRPA1ALDH1A1

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-20070189984-A1 Agents for use on skin and/or hair containing quadruply substituted cyclohexene compounds BEIERSDORF AF, (DE) 2007-08-16 US claimed
EP-1675560-A1 AGENTS FOR USE ON SKIN AND/OR HAIR CONTAINING QUADRUPLY SUBSTITUTED CYCLOHEXENE COMPOUNDS Beiersdorf AG (DE) 2006-07-05 EP claimed
WO-2005032501-A1 AGENTS FOR USE ON SKIN AND/OR HAIR CONTAINING QUADRUPLY SUBSTITUTED CYCLOHEXENE COMPOUNDS BEIERSDORF AG (DE) 2005-04-14 WO claimed
US-20070189984-A1 Agents for use on skin and/or hair containing quadruply substituted cyclohexene compounds BEIERSDORF AF, (DE) 2007-08-16 US disclosed
EP-1675560-A1 AGENTS FOR USE ON SKIN AND/OR HAIR CONTAINING QUADRUPLY SUBSTITUTED CYCLOHEXENE COMPOUNDS Beiersdorf AG (DE) 2006-07-05 EP disclosed
WO-2005032501-A1 AGENTS FOR USE ON SKIN AND/OR HAIR CONTAINING QUADRUPLY SUBSTITUTED CYCLOHEXENE COMPOUNDS BEIERSDORF AG (DE) 2005-04-14 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-20070189984-A1 Agents for use on skin and/or hair containing quadruply substituted cyclohexene compounds TYR, MC1R, MITF MEN1 1669/4885KMT2A 2509/4885LMNA 783/4885

“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.