SCHEMBL21879730

SCHEMBL21879730

C=CC(=O)O[SiH](O)CCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.44
THRB P10828 4/20 0.37
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRA P10827 1/20 0.31

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
SCHEMBL27913695 0.88 TSHR (0.50) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL7766210 0.83 TSHR (0.47) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11143543 0.79 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL4394880 0.78 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL4393987 0.76 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL4357212 0.73 TSHR (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3748229 0.73 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL584640 0.72 TSHR (0.38) TSHRHPGDTHRB
SCHEMBL486276 0.71 TSHR (0.37) TSHRHPGDTHRB
SCHEMBL8631308 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630654-B2 Emulsion particle-containing aqueous dispersion NIPPON SHOKUBAI CO., LTD. (JP) 2026-05-19 US disclosed
EP-4726008-A1 AGENT FOR IMPARTING HYDROPHILICITY-SUSTAINING EFFECT AND/OR WATER SLIDING PROPERTIES Nippon Shokubai Co., Ltd. (JP) 2026-04-15 EP disclosed
US-12590215-B2 Ink for ink-jet textile printing, method for producing printed matter using said ink, and article with adhered image NIPPON SHOKUBAI CO., LTD. (JP) 2026-03-31 US disclosed
US-12473456-B2 Aqueous dispersion, production method therefor, coating composition, and coating film NIPPON SHOKUBAI CO., LTD. (JP) 2025-11-18 US disclosed
WO-2024252703-A1 AGENT FOR IMPARTING HYDROPHILICITY-SUSTAINING EFFECT AND/OR WATER SLIDING PROPERTIES 株式会社日本触媒 2024-12-12 WO disclosed
US-20240294787-A1 INK FOR INK-JET TEXTILE PRINTING, METHOD FOR PRODUCING PRINTED MATTER USING SAID INK, AND ARTICLE WITH ADHERED IMAGE NIPPON SHOKUBAI CO., LTD. (JP) 2024-09-05 US disclosed
WO-2024176662-A1 ADHESIVE INK, AND METHOD FOR PRODUCING PRINTED MATERIAL USING SAID ADHESIVE INK 株式会社日本触媒 2024-08-29 WO disclosed
EP-4361226-A1 INK FOR INK-JET TEXTILE PRINTING, METHOD FOR PRODUCING PRINTED OBJECT USING SAID INK, AND ARTICLE WITH FIXED IMAGE Nippon Shokubai Co., Ltd. (JP) 2024-05-01 EP disclosed
WO-2024014452-A1 RUBBER REINFORCEMENT FIBER TREATMENT AGENT, RUBBER REINFORCEMENT FIBER TREATMENT AGENT KIT, RUBBER REINFORCEMENT FIBER MANUFACTURING METHOD, RUBBER REINFORCEMENT FIBER, AND RUBBER PRODUCT 明成化学工業株式会社 2024-01-18 WO disclosed
WO-2023085233-A1 LITHIUM-ION SECONDARY BATTERY NEGATIVE ELECTRODE COMPOSITION 株式会社日本触媒 2023-05-19 WO disclosed
CN-114945638-A Resin emulsion for water-based ink 株式会社日本触媒 2022-08-26 CN disclosed
EP-4011922-A1 EMULSION PARTICLE-CONTAINING AQUEOUS DISPERSION Nippon Shokubai Co., Ltd. (JP) 2022-06-15 EP disclosed
WO-2021153288-A1 RESIN EMULSION FOR WATER-BASED INK 株式会社日本触媒 2021-08-05 WO disclosed
WO-2021149548-A1 INK-JET INK 株式会社日本触媒 2021-07-29 WO disclosed
CN-112888749-A Aqueous resin composition, method for producing same, and use thereof 株式会社日本触媒 2021-06-01 CN disclosed
CN-112543792-A Aqueous dispersion, method for producing same, coating composition, and coating film 株式会社日本触媒 2021-03-23 CN disclosed
WO-2021024999-A1 EMULSION PARTICLE-CONTAINING AQUEOUS DISPERSION 株式会社日本触媒 2021-02-11 WO disclosed
CN-108026405-B Resin emulsion for paint 株式会社日本触媒 2020-12-01 CN disclosed
WO-2020085260-A1 AQUEOUS RESIN COMPOSITION, PRODUCTION METHOD FOR AQUEOUS RESIN COMPOSITION, AND USE FOR AQUEOUS RESIN COMPOSITION 株式会社日本触媒 2020-04-30 WO disclosed
WO-2020085263-A1 AQUEOUS DISPERSION, PRODUCTION METHOD FOR AQUEOUS DISPERSION, AND USE FOR AQUEOUS DISPERSION 株式会社日本触媒 2020-04-30 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 (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-12630654-B2 Emulsion particle-containing aqueous dispersion CLTB, CLTA, APOB TSHR 3515/4885HPGD 3607/4885THRB 728/4885
US-12590215-B2 Ink for ink-jet textile printing, method for producing printed matter using said ink, and article with adhered image PSD, EPHA7, EED TSHR 4240/4885HPGD 3715/4885THRB 4293/4885

“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.