SCHEMBL6738675

SCHEMBL6738675

CC(C)COC(=O)CCS

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6740983 0.87 MAPT (0.47) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL29930756 0.86 MAPT (0.41) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL334176 0.85 TSHR (0.50) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL4988228 0.85 MAPT (0.38) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL98334 0.85 LMNA (0.41) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL2127406 0.84 MAPT (0.58) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL27561555 0.83 TSHR (0.48) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL30529014 0.83 TSHR (0.48) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL6355099 0.83 MAPT (0.39) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL4983415 0.82 MAPT (0.40) TSHRMAPTGAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410151-B 3- (5, 5-Dimethyl-4, 5-dihydro-isoxazol-3-yl) propionate and synthetic method and application thereof 山东润博生物科技有限公司 2024-12-10 CN disclosed
CN-118666690-A Binuclear quaternary ammonium salt ionic liquid compound and application thereof 中国药科大学 2024-09-20 CN disclosed
CN-116410151-A 3- (5, 5-dimethyl-4, 5-dihydroxyisoxazol-3-yl) propionate and synthetic method and application thereof 山东润博生物科技有限公司 2023-07-11 CN disclosed
CN-113121763-A Acrylate comb dispersant, organic pigment color paste and preparation method thereof 传美讯电子科技(珠海)有限公司 2021-07-16 CN disclosed
US-10034861-B2 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-07-31 US disclosed
US-20180000786-A1 1H-Pyrazolo[4,3-b]pyridines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2018-01-04 US disclosed
EP-2799455-A2 Resin composition for optical member and optical member obtained from the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-11-05 EP disclosed
US-7623751-B2 Compound, polymerizable composition, optical device, and method for producing refractive index profile optical device FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed
US-7623751-B2 Compound, polymerizable composition, optical device, and method for producing refractive index profile optical device FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed
US-20080226244-A1 Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device FUJIFILM CORPORATION (JP) 2008-09-18 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
EP-0080969-B1 A METHOD OF REMOVING RESIDUAL ACRYLONITRILE FROM LATEX SYSTEMS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-02-05 EP disclosed
EP-0097791-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 3-MERCAPTOPROPIONIC ACID Degussa Aktiengesellschaft (DE) 1985-03-13 EP disclosed
EP-0097791-A1 Process for the preparation of derivatives of 3-mercaptopropionic acid Degussa Aktiengesellschaft (DE) 1984-01-11 EP disclosed
US-4399253-A REACTION WITH THIOL THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-08-16 US disclosed
EP-0080969-A1 A method of removing residual acrylonitrile from latex systems THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-06-08 EP disclosed
US-4361665-A ANTIMONY STABILIZER, ORTHO-DIHYDRIC PHENOL CHAIN STOPPER TENNECO CHEMICALS, INC. (US) 1982-11-30 US disclosed
US-4336168-A ORGANIC SULFUR COMPOUNDS TENNECO CHEMICALS, INC. (US) 1982-06-22 US disclosed
EP-0039159-A1 Vinyl halide resin compositions containing antimony-based stabilizer compositions, such stabilizer compositions and processes of production thereof Nuodex Inc. (US) 1981-11-04 EP 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 TSHR 762/4885MAPT 2566/4885POLB 3943/4885
US-10034861-B2 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors PDE3A, PDE5A, PDE12 TSHR 2941/4885MAPT 246/4885POLB 1097/4885
US-20180000786-A1 1H-Pyrazolo[4,3-b]pyridines as PDE1 Inhibitors PDE3A, PDE5A, PDE12 TSHR 2941/4885MAPT 246/4885POLB 1097/4885
US-20080226244-A1 Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device PIEZO1, PFN1, INF2 TSHR 2398/4885MAPT 2002/4885POLB 1299/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 TSHR 706/4885MAPT 4036/4885POLB 3106/4885

“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.