SCHEMBL16853027

SCHEMBL16853027

CCCCCCCCCCCCCCCCCCOC[C@H]1CC[C@@H](CC)O1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
EPHX1 P07099 1/20 0.37
CES2 O00748 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 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
SCHEMBL16853028 1.00 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16853067 1.00 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL18135609 1.00 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL18135612 1.00 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834667 0.94 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16853084 0.94 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834836 0.94 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834544 0.94 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834772 0.94 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834837 0.94 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233358-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY 2017-08-17 US disclosed
US-9670174-B2 Mono- and dialkyl ethers of furan-2,5-dimethanol and (tetra-hydrofuran-2,5-diyl)dimethanol and amphiphilic derivatives thereof ARCHER DANIELS MIDLAND COMPANY (US) 2017-06-06 US disclosed
US-20160297785-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-10-13 US disclosed
WO-2015094970-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2015-06-25 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-20170233358-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF DTYMK, DGKA, DGKK ALDH1A1 1895/4885TDP1 1509/4885SMN1; SMN2 4602/4885
US-20160297785-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF DTYMK, DBF4, DIMT1 ALDH1A1 1599/4885TDP1 855/4885SMN1; SMN2 4400/4885

“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.