Dioxane

Dioxane

SCHEMBL1449342

C1COCCO1.c1ccc2c(c1)CCCC2

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
LMNA P02545 3/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
HTR2C P28335 1/20 0.42
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 3/20 0.39
CYP2A6 P11509 2/20 0.39
MAOA P21397 2/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
PNMT P11086 1/20 0.37
CD44 P16070 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 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
Tetrahydrofuran SCHEMBL3265313 0.92 TSHR (0.68) TSHRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL24772918 0.92 TSHR (0.60) TSHRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL24774025 0.92 TSHR (0.60) TSHRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL7063876 0.89 TSHR (0.63) TSHRLMNACRHBPCRHR2SMN1; SMN2
Dioxane SCHEMBL31229845 0.88 TSHR (0.53) TSHRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL7062871 0.87 TSHR (0.62) TSHRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL8355 0.85 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL385555 0.85 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL11606739 0.85 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL11645158 0.85 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB

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-4091134-A POLYPROPYLENE OR PROPYLENE-ETHYLENE COPOLYMER, RUBBER, TACKIFIER, ASPHALT UEMURA MASARU 1978-05-23 US claimed
US-3967020-A ETHYLENE-VINYL ACETATE COPOLYMER, COPOLYMERS OF ETHYLENE-PROPYLENE AND BUTADIENE-STYRENE, ASPHALT TOYO SODA MANUFACTURING CO., LTD. (JA) 1976-06-29 US claimed
US-7910018-B2 Compounds for use in liquid crystal devices QINETIQ LIMITED (GB) 2011-03-22 US disclosed
US-20090066905-A1 Componds for use in liquid crystal devices QINETIQ LIMITED (GB) 2009-03-12 US disclosed
EP-1814870-A2 BENZO-1,3-DIOXANES FOR USE IN LIQUID CRYSTAL DEVICES Qinetiq Limited (GB) 2007-08-08 EP disclosed
WO-2006048620-A2 BENZO-1, 3-DIOXANES FOR USE IN LIQUID CRYSTAL DEVICES QINETIQ LIMITED (GB) 2006-05-11 WO disclosed
US-4091134-A POLYPROPYLENE OR PROPYLENE-ETHYLENE COPOLYMER, RUBBER, TACKIFIER, ASPHALT UEMURA MASARU 1978-05-23 US disclosed
US-3967020-A ETHYLENE-VINYL ACETATE COPOLYMER, COPOLYMERS OF ETHYLENE-PROPYLENE AND BUTADIENE-STYRENE, ASPHALT TOYO SODA MANUFACTURING CO., LTD. (JA) 1976-06-29 US 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-20090066905-A1 Componds for use in liquid crystal devices FZD7, CFD, PYCARD TSHR 4686/4885LMNA 1092/4885CRHBP 2150/4885

“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.