SCHEMBL9610669

SCHEMBL9610669

C=C(C)C(=O)OCCCC(C)(C)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.48
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL3688925 0.88 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1108012 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL30387394 0.85 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Fluoride SCHEMBL28254640 0.85 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29163214 0.84 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20925611 0.84 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25211836 0.83 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15801130 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4955679 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18927198 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786160-B2 Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-17 US disclosed
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-11656548-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, mask blank with resist film, method for producing photomask, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2023-05-23 US disclosed
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
US-10023752-B2 Conductive material and substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-07-17 US disclosed
US-20180197653-A1 POLYMERIZABLE MONOMER, POLYMER COMPOUND, BIOLOGICAL ELECTRODE COMPOSITION, BIOLOGICAL ELECTRODE, AND METHOD FOR PRODUCING BIOLOGICAL ELECTRODE SHIH-ETSU CHEMICAL CO., LTD. (JP) 2018-07-12 US disclosed
US-20180193632-A1 BIOMEDICAL ELECTRODE COMPOSITION, BIOMEDICAL ELECTRODE AND METHOD FOR MANUFACTURING THE BIOMEDICAL ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-07-12 US disclosed
US-10012903-B2 Resist composition and pattern forming process SHIN-ESTU CHEMICAL CO., LTD. (JP) 2018-07-03 US disclosed
US-10005868-B2 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-26 US disclosed
US-10007178-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-26 US disclosed
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 US disclosed
US-20120135349-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120009529-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120009527-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20110294070-A1 MONOMER, POLYMER, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-01 US disclosed
US-20110236831-A1 ACETAL COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20110236826-A1 PATTERNING PROCESS, RESIST COMPOSITION, AND ACETAL COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20110177462-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110091812-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-21 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 (5 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-20180193632-A1 BIOMEDICAL ELECTRODE COMPOSITION, BIOMEDICAL ELECTRODE AND METHOD FOR MANUFACTURING THE BIOMEDICAL ELECTRODE KCNN2, KCNN1, HCN4 TSHR 2614/4885THRB 1813/4885POLB 1585/4885
US-20110236826-A1 PATTERNING PROCESS, RESIST COMPOSITION, AND ACETAL COMPOUND PARG, RAD51, CD38 TSHR 4493/4885THRB 4237/4885POLB 215/4885
US-20110294070-A1 MONOMER, POLYMER, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS PARG, PCNA, POLH TSHR 4758/4885THRB 4443/4885POLB 12/4885
US-20110236831-A1 ACETAL COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS ADH1A, ADH1C, ADH5 TSHR 4402/4885THRB 4482/4885POLB 1444/4885
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS GABRA5, GABRB1, GABBR1 TSHR 2083/4885THRB 1216/4885POLB 107/4885

“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.