SCHEMBL7575859

SCHEMBL7575859

C=CCOC(=O)C(Br)CBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SNCA P37840 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APP P05067 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
SCHEMBL10830392 0.83 TDP1 (0.39) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL7575623 0.83 CYP3A4 (0.36) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL7575621 0.83 CYP3A4 (0.38) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL8057311 0.83 TSHR (0.40) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL7577226 0.81 TSHR (0.43) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL5928210 0.80 CYP3A4 (0.39) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL7575374 0.78 CYP3A4 (0.38) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL7583905 0.78 CYP3A4 (0.35) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL7582924 0.78 CYP3A4 (0.35) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL476238 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788363-B1 HYDROLYSABLE SILANES DOW CORNING (US) 2018-04-25 EP claimed
US-9321792-B2 Hydrolysable silanes DOW CORNING CORPORATION (US) 2016-04-26 US claimed
US-20140364627-A1 Hydrolysable Silanes DOW SILICONES CORPORATION 2014-12-11 US claimed
EP-2788363-A1 HYDROLYSABLE SILANES Dow Corning Corporation (US) 2014-10-15 EP claimed
WO-2013083743-A1 HYDROLYSABLE SILANES DOW CORNING CORPORATION (US) 2013-06-13 WO claimed
EP-2788363-B1 HYDROLYSABLE SILANES DOW CORNING (US) 2018-04-25 EP disclosed
US-9321792-B2 Hydrolysable silanes DOW CORNING CORPORATION (US) 2016-04-26 US disclosed
US-20140371392-A1 Polymeric Materials Modified By Silanes DOW CORNING EUROPE S.A. (BE) 2014-12-18 US disclosed
US-20140364627-A1 Hydrolysable Silanes DOW SILICONES CORPORATION 2014-12-11 US disclosed
US-20140329976-A1 Treatment Of Filler With Silane DOW CORNING EUROPE S.A. (BE) 2014-11-06 US disclosed
EP-2788363-A1 HYDROLYSABLE SILANES Dow Corning Corporation (US) 2014-10-15 EP disclosed
EP-2788387-A2 POLYMERIC MATERIALS MODIFIED BY SILANES Dow Corning Corporation (US) 2014-10-15 EP disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
EP-0030474-B1 PROCESS FOR THE PRODUCTION OF DL-SERINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-01-19 EP disclosed
US-4304933-A HEATING AZIRIDINE-2-CARBOXYLIC ACID ON ION EXCHANGE RESIN MITSUI TOATSU CHEMICALS, INC. (JP) 1981-12-08 US disclosed
EP-0030474-A1 Process for the production of DL-serines MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-06-17 EP disclosed
US-4198509-A Mercaptoacylpiperazine carboxylic acid compounds E. R. SQUIBB & SONS, INC. (US) 1980-04-15 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 (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-20140329976-A1 Treatment Of Filler With Silane CD44, ASAH2, COL2A1 TSHR 4040/4885ALDH1A1 1399/4885CYP3A4 4528/4885
US-20140364627-A1 Hydrolysable Silanes ESD, JMJD6, KDM5A TSHR 4559/4885ALDH1A1 376/4885CYP3A4 2923/4885

“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.