SCHEMBL1679770

SCHEMBL1679770

CCOP(=O)(CC=CCP(=O)(OCC)OCC)OCC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
PPARD Q03181 2/20 0.48
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL1679837 1.00 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL16681891 1.00 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL9208480 0.89 TSHR (0.46) TSHRPPARDTP53TDP1MEN1
SCHEMBL9208492 0.89 TSHR (0.46) TSHRPPARDTP53TDP1MEN1
SCHEMBL9446012 0.89 TSHR (0.46) TSHRPPARDTP53TDP1MEN1
SCHEMBL4609885 0.87 TSHR (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL11341590 0.87 TSHR (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL20490115 0.87 TSHR (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL12315645 0.87 PPARD (0.47) TSHRPPARDTP53TDP1LPAR3
SCHEMBL11443334 0.85 TSHR (0.48) TSHRPPARDTP53TDP1MEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292402-A Method for synthesizing 3, 8-dimethyl-3, 5, 7-octatriene-1, 10-dialdehyde 暨南大学 2021-08-24 CN claimed
EP-3086397-B1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES (JP) 2018-10-10 EP claimed
WO-1992015544-A1 METHOD OF MAKING 2,7-DIMETHYL-2,4,6-OCTATRIENEDIAL AND DERIVATIVES THEREOF LOYOLA UNIVERSITY OF CHICAGO (US) 1992-09-17 WO claimed
US-5107030-A Method of making 2,7-dimethyl-2,4,6-octatrienedial and derivatives thereof LOYOLA UNIVERSITY OF CHICAGO (US) 1992-04-21 US claimed
CN-113292402-A Method for synthesizing 3, 8-dimethyl-3, 5, 7-octatriene-1, 10-dialdehyde 暨南大学 2021-08-24 CN disclosed
EP-1667954-B1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2018-11-14 EP disclosed
EP-1487774-B1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2018-09-19 EP disclosed
EP-1487774-A4 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES Diffusion Pharmaceuticals LLC (US) 2018-04-25 EP disclosed
US-20170202798-A1 BIPOLAR TRANS CARTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2017-07-20 US disclosed
US-9604899-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2017-03-28 US disclosed
US-20140051759-A1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2014-02-20 US disclosed
US-8269027-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-09-18 US disclosed
US-20070161610-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2007-07-12 US disclosed
EP-1667954-A4 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2006-12-20 EP disclosed
EP-1667954-A1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES Diffusion Pharmaceuticals LLC (US) 2006-06-14 EP disclosed
WO-2005028411-A1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2005-03-31 WO disclosed
EP-1487774-A2 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES Diffusion Pharmaceuticals LLC (US) 2004-12-22 EP disclosed
US-20040116729-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC 2004-06-17 US disclosed
US-20040014725-A1 Biopolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC 2004-01-22 US disclosed
WO-2003072734-A2 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2003-09-04 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 (4 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-20140051759-A1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES RBP4, MB, SLC6A12 TSHR 1232/4885PPARD 1280/4885TP53 4467/4885
US-20070161610-A1 Bipolar trans carotenoid salts and their uses RBP4, MB, SLC6A12 TSHR 1232/4885PPARD 1280/4885TP53 4467/4885
US-20170202798-A1 BIPOLAR TRANS CARTENOID SALTS AND THEIR USES TXNRD2, CYP11B2, CYP11B1 TSHR 1403/4885PPARD 1048/4885TP53 4101/4885
US-20040014725-A1 Biopolar trans carotenoid salts and their uses GYS1, TXNRD3, SLC39A14 TSHR 2557/4885PPARD 1447/4885TP53 4044/4885

“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.