SCHEMBL379236

SCHEMBL379236

C#CC(C)CCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP2D6 P10635 2/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 2/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41

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
SCHEMBL3098927 0.86
SCHEMBL3383963 0.78 TSHR (0.43) LMNANFKB1CYP1A2SLC22A6GABRP
SCHEMBL2235480 0.76 LMNA (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL7738368 0.76 LMNA (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL8577520 0.75 LMNA (0.48) LMNANFKB1CYP1A2HSD17B10SLC22A6
SCHEMBL1712974 0.74 LMNA (0.47) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL125280 0.74
SCHEMBL13658757 0.74 LMNA (0.53) LMNANFKB1CYP1A2HSD17B10SLC22A6
SCHEMBL14360701 0.74 LMNA (0.53) LMNAMAPTNFKB1CYP1A2SLC22A6
SCHEMBL29660871 0.74 LMNA (0.53) LMNANFKB1CYP1A2SLC22A6GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133653-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2015-05-14 US disclosed
WO-2014070092-A1 FUNCTIONALIZED CELLULOSE NANOCRYSTALS, A METHOD FOR THE PREPARATION THEREOF AND USE OF FUNCTIONALIZED CELLULOSE NANOCRYSTALS IN COMPOSITES AND FOR GRAFTING SWETREE TECHNOLOGIES AB (SE) 2014-05-08 WO disclosed
US-20120070377-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2012-03-22 US disclosed
EP-2408779-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF Photobiotics Limited (GB) 2012-01-25 EP disclosed
WO-2010106341-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2010-09-23 WO disclosed
US-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed
US-5116862-A Acetylenic trithiabicyclo(2.2.2)octanes THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-26 US disclosed
EP-0300797-A1 Pesticidal compounds ROUSSEL UCLAF (FR) 1989-01-25 EP 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-20150133653-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF SSB, HLA-B, BDKRB1 LMNA 1929/4885CYP2D6 489/4885MAPT 2363/4885
US-20120070377-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF SSB, HLA-B, BDKRB1 LMNA 1940/4885CYP2D6 391/4885MAPT 2391/4885

“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.