SCHEMBL5069246

SCHEMBL5069246

CC(CC(=O)O)CC(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ALOX15 P16050 1/20 0.35
BHMT Q93088 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL27900346 1.00 TSHR (0.42) TSHRLMNAMMP1MMP2MMP3
SCHEMBL2275330 0.91 LMNA (0.46) TSHRLMNAMMP1MMP2MMP3
3-Methylbutanoic Acid SCHEMBL5028701 0.82 MMP1 (0.55) TSHRLMNAMMP1MMP2MMP3
SCHEMBL316476 0.81 SLC22A6 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL29226568 0.81 PRKCA (0.47) LMNAMMP1MMP2MMP3MMP9
SCHEMBL9672907 0.81 LMNA (0.46) TSHRLMNAMAPTBHMT
SCHEMBL258152 0.80 SLC22A6 (0.50) TSHRMAPTBHMTSLC22A6CACNA2D1
SCHEMBL148546 0.79 TSHR (0.43) TSHRMAPTBHMTSLC22A6CACNA2D1
SCHEMBL22087967 0.79 LMNA (0.42) TSHRLMNAMMP1MMP2MMP3
SCHEMBL12224068 0.79 LMNA (0.47) TSHRLMNAMMP1MMP2MMP3

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-7399880-B2 Process for removing farnesol from mixtures with alpha-bisabolol SYMRISE GMBH & CO. KG (DE) 2008-07-15 US claimed
US-20070100160-A1 PROCESS FOR REMOVING FARNESOL FROM MIXTURES WITH ALPHA-BISABOLOL SYMRISE AG (DE) 2007-05-03 US claimed
CN-103635494-B Alpha-olefin polymerization method 胜亚诺盟股份有限公司 2016-12-14 CN disclosed
CN-102822175-A 5, 5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS INC (US) 2012-12-12 CN disclosed
US-7399880-B2 Process for removing farnesol from mixtures with alpha-bisabolol SYMRISE GMBH & CO. KG (DE) 2008-07-15 US disclosed
US-20070100160-A1 PROCESS FOR REMOVING FARNESOL FROM MIXTURES WITH ALPHA-BISABOLOL SYMRISE AG (DE) 2007-05-03 US disclosed
CN-1054384-C Process for the preparation of olefin polymer MITSUI CHEMICALS CO LTD (JP) 2000-07-12 CN disclosed
CN-1090854-A The preparation method of olefin polymer MITSUI PETROCHEMICAL IND (JP) 1994-08-17 CN 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-20070100160-A1 PROCESS FOR REMOVING FARNESOL FROM MIXTURES WITH ALPHA-BISABOLOL CES1, FNTB, CBR1 TSHR 676/4885LMNA 791/4885MMP1 4820/4885

“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.