SCHEMBL9816229

SCHEMBL9816229

C=CCOCC(O)COCC(O)CO

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA7 P43166 4/20 0.61
CA9 Q16790 4/20 0.42
CA4 P22748 3/20 0.41
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13755789 1.00 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL13755787 1.00 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL8754223 0.98 CA1 (0.63) CA1CA2CA7CA9CA4
SCHEMBL3093350 0.96
SCHEMBL30534 0.96
SCHEMBL6013926 0.96
Hydrogen Sulfide SCHEMBL27334247 0.93 CA1 (0.63) CA1CA2CA7CA9CA4
SCHEMBL291913 0.93 CA1 (0.63) CA1CA2CA7CA9CA4
Methane SCHEMBL27945377 0.93 CA1 (0.63) CA1CA2CA7CA9CA4
SCHEMBL5925041 0.93 CA1 (0.63) CA1CA2CA7CA9CA4

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
WO-2023132256-A1 (POLY)GLYCERIN GROUP- AND POLYOXYALKYLENE GROUP-CONTAINING ORGANOPOLYSILOXANE, TREATED HYDROPHOBIC POWDER, DISPERSION, AND COSMETIC 信越化学工業株式会社 2023-07-13 WO disclosed
EP-3448974-B1 DETERGENT COMPOSITION COMPRISING A CARBINOL FUNCTIONAL TRISILOXANE DOW SILICONES CORP (US) 2021-07-07 EP disclosed
US-20190112322-A1 CARBINOL FUNCTIONAL TRISILOXANE AND METHOD OF FORMING THE SAME DOW TORAY CO., LTD. (JP) 2019-04-18 US disclosed
WO-2017189704-A1 CARBINOL FUNCTIONAL TRISILOXANE AND METHOD OF FORMING THE SAME DOW CORNING CORPORATION (US) 2017-11-02 WO disclosed
WO-2017189703-A1 DETERGENT COMPOSITION COMPRISING A CARBINOL FUNCTIONAL TRISILOXANE DOW CORNING CORPORATION (US) 2017-11-02 WO disclosed
US-9663432-B2 High-purity monoalkenyl-containing glycerin derivative and method of manufacturing same DOW CORNING TORAY CO., LTD. (JP) 2017-05-30 US disclosed
US-9663432-B2 High-purity monoalkenyl-containing glycerin derivative and method of manufacturing same DOW CORNING TORAY CO., LTD. (JP) 2017-05-30 US disclosed
US-20130150458-A1 SILICONE-MODIFIED WAX, COMPOSITION AND COSMETIC PREPARATION CONTAINING THE SAME, AND PRODUCTION METHOD OF SILICONE-MODIFIED WAX SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-20090203802-A1 POWDER COMPOSITION, A DISPERSION OF POWDER IN OIL, AND A COSMETIC COMPRISING THE SAME KAMEI MASANAO 2009-08-13 US disclosed
EP-0162239-B1 PERCUTANEOUS ABSORPTION ACCELERATOR AND PREPARATION CONTAINING SAME Kao Corporation (JP) 1991-08-07 EP disclosed
US-4948588-A ETHER DERIVATIVES OF GLYCEROLS OR POLYGLYCEROLS KAO CORPORATION (JP) 1990-08-14 US disclosed
US-4859696-A Precutaneous absorption accelerator and preparation containing same KAO CORPORATION (JP) 1989-08-22 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 (3 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-20130150458-A1 SILICONE-MODIFIED WAX, COMPOSITION AND COSMETIC PREPARATION CONTAINING THE SAME, AND PRODUCTION METHOD OF SILICONE-MODIFIED WAX FASN, FADS2, STS CA1 4395/4885CA2 4519/4885CA7 3035/4885
US-20190112322-A1 CARBINOL FUNCTIONAL TRISILOXANE AND METHOD OF FORMING THE SAME F12, DEGS1, MSMO1 CA1 1370/4885CA2 2160/4885CA7 3104/4885
US-20090203802-A1 POWDER COMPOSITION, A DISPERSION OF POWDER IN OIL, AND A COSMETIC COMPRISING THE SAME FANCD2, SPECC1L, ALG1 CA1 4788/4885CA2 4495/4885CA7 3175/4885

“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.