SCHEMBL16853030

SCHEMBL16853030

CCCCCCOCc1ccc(COCCCCCC)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CES2 O00748 1/20 0.38
LTA4H P09960 2/20 0.38
NOS1 P29475 1/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 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
SCHEMBL16834662 1.00 NR5A1 (0.44) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL16853025 1.00 NR5A1 (0.44) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL16853087 1.00 NR5A1 (0.44) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL16853083 0.94 NR5A1 (0.41) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL18135614 0.94 NR5A1 (0.41) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL16853096 0.94 NR5A1 (0.41) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL28158410 0.92 TSHR (0.40) NR5A1KMT2AMAPTTDP1ALDH1A1
SCHEMBL16834549 0.91 MEN1 (0.43) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL16834829 0.91 NR5A1 (0.39) NR5A1MEN1KMT2ATHRBHTT
SCHEMBL16834717 0.91 MEN1 (0.43) NR5A1MEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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-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-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-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
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
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 NR5A1 1314/4885MEN1 498/4885KMT2A 748/4885
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 NR5A1 454/4885MEN1 255/4885KMT2A 484/4885

“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.