SCHEMBL21087587

SCHEMBL21087587

FC(F)(SN(Cc1ccccc1)Cc1ccccc1)SN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
AOC3 Q16853 1/20 0.40
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
MGLL Q99685 2/20 0.39
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT8 Q9NR22 1/20 0.35

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
SCHEMBL21088024 0.79 ALDH1A1 (0.50) ALDH1A1TSHRAOC3NR1H2NR1H3
SCHEMBL333424 0.74 ALDH1A1 (0.52) ALDH1A1TSHRAOC3MGLLCYP2C19
SCHEMBL21087535 0.70 ALDH1A1 (0.48) ALDH1A1TSHRAOC3MGLLCYP2C19
SCHEMBL3736957 0.70 ALDH1A1 (0.48) ALDH1A1TSHRAOC3NR1H2NR1H3
Hydrochloric Acid SCHEMBL4483825 0.68 ALDH1A1 (0.46) ALDH1A1TSHRAOC3NR1H2NR1H3
Iodide SCHEMBL29093986 0.68 ALDH1A1 (0.46) ALDH1A1TSHRAOC3NR1H2NR1H3
SCHEMBL20740838 0.68 ALDH1A1 (0.46) ALDH1A1TSHRAOC3NR1H2NR1H3
SCHEMBL19622387 0.68 ALDH1A1 (0.38) ALDH1A1TSHRAOC3NR1H2NR1H3
SCHEMBL4431685 0.68 CES1 (0.44) ALDH1A1CYP2C19CES1
SCHEMBL21034084 0.68 TSHR (0.48) ALDH1A1TSHRAOC3NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10615456-B2 Additive for nonaqueous electrolyte solutions, nonaqueous electrolyte solution and electricity storage device SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2020-04-07 US disclosed
US-10573929-B2 2020-02-25 US disclosed
US-20190181499-A1 ADDITIVE FOR NONAQUEOUS ELECTROLYTE SOLUTIONS, NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2019-06-13 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-10615456-B2 Additive for nonaqueous electrolyte solutions, nonaqueous electrolyte solution and electricity storage device SLC9A1, SLC26A3, SCNN1A ALDH1A1 715/4885TSHR 2532/4885AOC3 2878/4885
US-10573929-B2 SLC26A3, SLC9A1, CLIC1 ALDH1A1 559/4885TSHR 2479/4885AOC3 2714/4885
US-20190181499-A1 ADDITIVE FOR NONAQUEOUS ELECTROLYTE SOLUTIONS, NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE SLC9A1, SLC26A3, SCNN1A ALDH1A1 715/4885TSHR 2532/4885AOC3 2878/4885

“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.