SCHEMBL4306221

SCHEMBL4306221

[CH2]CCCC=CC=CC=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL28730994 1.00 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4306220 1.00 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL19973697 0.92 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL19973694 0.92 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL19974068 0.92 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL19974070 0.92 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL19973878 0.90 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL19974090 0.90 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL19974091 0.90 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL19973656 0.90 ALDH1A1 (0.35) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715605-B Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2022-04-12 CN disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
US-7482302-B2 triethylammonium (4-chlorophenylsulfonyl)difluoromethanesulfonate used for acid catalysts, ion exchange membranes DAIKIN INDUSTRIES, LTD. (JP) 2009-01-27 US disclosed
US-20060252961-A1 triethylammonium (4-chlorophenylsulfonyl)difluoromethanesulfonate used for acid catalysts, ion exchange membranes DAIKIN INDUSTRIES, LTD. (JP) 2006-11-09 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-20060252961-A1 triethylammonium (4-chlorophenylsulfonyl)difluoromethanesulfonate used for acid catalysts, ion exchange membranes SLC26A3, SLC7A1, SLC9A2 ALDH1A1 1528/4885TSHR 2431/4885

“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.