SCHEMBL348208

SCHEMBL348208

CC(C)(C)C(=O)C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL3077314 0.82 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL17953040 0.82 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL3246786 0.82 TSHR (0.39) TSHRALDH1A1
SCHEMBL6151164 0.82 CA2 (0.32) TSHRALDH1A1
SCHEMBL271740 0.79
SCHEMBL959151 0.79
SCHEMBL6986580 0.79
SCHEMBL116714 0.79
SCHEMBL3917530 0.77 FKBP1A (0.33) TSHR
SCHEMBL3832588 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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9557297-B2 Alpha- and chi-diketone reactants for charge transfer reactions in mass spectrometers BRUKER DALTONIK GMBH (DE) 2017-01-31 US claimed
US-20130115711-A1 REACTANTS FOR CHARGE TRANSFER REACTIONS IN MASS SPECTROMETERS BRUKER DALTONIK GMBH (DE) 2013-05-09 US claimed
EP-0233510-B1 PROCESS FOR THE PRODUCTION OF DI-TERT.-BUTYL-ETHYLENE DIAMINE BASF Aktiengesellschaft (DE) 1990-04-11 EP claimed
CN-119126287-A Polarizing plate and optical display device 三星SDI株式会社 2024-12-13 CN disclosed
US-20240411077-A1 POLARIZING PLATE AND OPTICAL DISPLAY DEVICE Wuxi Hengxin Optoelectronic Materials Co., Ltd. (CN) 2024-12-12 US disclosed
US-20230190782-A1 NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-06-22 US disclosed
US-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2023-02-23 US disclosed
CN-109641927-B Method for producing thin inorganic films 巴斯夫欧洲公司 2023-01-10 CN disclosed
WO-2022070552-A1 ACTIVE-ENERGY-RAY-CURABLE COMPOSITION AND METHOD FOR PRODUCING PRINTED MATTER USING SAME, AND METHOD FOR IMPROVING ADHESION OF ACTIVE-ENERGY-RAY-CURABLE VARNISH COMPOSITION TO PRINTED MATTER SURFACE サカタインクス株式会社 2022-04-07 WO disclosed
WO-2022024512-A1 ACTIVE ENERGY RAY-CURABLE INK COMPOSITION FOR OFFSET PRINTING サカタインクス株式会社 2022-02-03 WO disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
CN-1390202-A Novel bipyridyl derivatives SANKIO CHEMICAL CO LTD (JP) 2003-01-08 CN disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed
US-20020027415-A1 Organic electroluminescent device containing dithiafulvene derivative CHISSO CORPORATION (JP) 2002-03-07 US disclosed
US-5068477-A Impregnation with reducing agent, decomposition with heat and drying EUROPEENNE DE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-11-26 US disclosed
US-5059731-A Selectively hydrogenating acetylenic and diolefinic hydrocarbons EUROPEANE DE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-10-22 US disclosed
US-5032565-A Using aldehyde, ketone, alcohol, ether or acid EUROPEENNE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-07-16 US disclosed
CN-1031247-A A kind of catalyst for refining method of reducing before use EURECAT EUROP RETRAIT CATALYS (FR) 1989-02-22 CN disclosed
US-4530917-A Using a polysulfide sulfuration agent EURECAT - SOCIETE EUROPEENNE DE RETRAITEMENT DE CATALYSEURS (FR) 1985-07-23 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR TSHR 3853/4885ALDH1A1 4678/4885LMNA 4788/4885
US-20230190782-A1 NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF TYMP, NUDT1, PNP TSHR 4766/4885ALDH1A1 1755/4885LMNA 463/4885
US-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS HAVCR2, HMBS, HDGF TSHR 4386/4885ALDH1A1 2529/4885LMNA 828/4885

“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.