SCHEMBL309127

SCHEMBL309127

CCCC(=CCCCCO)CCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
SQLE Q14534 3/20 0.36
EP300 Q09472 1/20 0.34
CNR1 P21554 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 2/20 0.33
TRPA1 O75762 1/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL26624796 0.98 LMNA (0.46) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL18626135 0.89 LMNA (0.42) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL3308169 0.87 CNR1 (0.41) LMNAHSD17B10MEN1KMT2ACNR1
SCHEMBL3308166 0.87 CNR1 (0.41) LMNAHSD17B10MEN1KMT2ACNR1
SCHEMBL31528854 0.86 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL19662287 0.85 LMNA (0.54) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL19662288 0.85 LMNA (0.54) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL5679321 0.82 TSHR (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31528913 0.81 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL13743830 0.80 POLB (0.39) LMNAALDH1A1TSHRCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981859-B1 PREPARATION OF DELMOPINOL SINCLAIR PHARMACEUTICALS LTD (GB) 2012-10-31 EP disclosed
US-8093398-B2 Preparation of delmopinol Sinclair Pharmaceticals Limited (GB) 2012-01-10 US disclosed
US-20110082301-A1 Preparation of Delmopinol COMELY ALEXANDER 2011-04-07 US disclosed
US-7893258-B2 Preparation of delmopinol SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-02-22 US disclosed
US-20090036677-A1 Preparation of Delmopinol MAELOR LABORATORIES LIMITED (GB) 2009-02-05 US disclosed
EP-1981859-A2 PREPARATION OF DELMOPINOL Sinclair Pharmaceuticals Limited (GB) 2008-10-22 EP disclosed
WO-2007091009-A2 PREPARATION OF DELMOPINOL SINCLAIR PHARMACEUTICALS LIMITED (GB) 2007-08-16 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 (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-20110082301-A1 Preparation of Delmopinol CBR3, AVPR2, C1S SMN1; SMN2 3412/4885LMNA 1431/4885ALDH1A1 2640/4885
US-20090036677-A1 Preparation of Delmopinol AVPR2, CBR3, C1S SMN1; SMN2 3201/4885LMNA 1203/4885ALDH1A1 2718/4885

“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.