SCHEMBL1177030

SCHEMBL1177030

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
FFAR3 O14843 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.34

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
Ethylmalonate SCHEMBL107241 0.86
SCHEMBL2573659 0.85 ALDH1A1 (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL26668831 0.85 CHRM1 (0.36) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL5585372 0.85 ALDH1A1 (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL4813785 0.83 GABRR1 (0.37) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL364987 0.83 MAPT (0.37) HDAC1HDAC2CHRM1AKR1A1CHRM3
Ethylmalonate SCHEMBL5236397 0.83 HDAC1 (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3
Ethylmalonate SCHEMBL9118935 0.83 HDAC1 (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3
Ethylmalonate SCHEMBL108554 0.83 HDAC1 (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3
Ethylmalonate SCHEMBL108039 0.83 HDAC1 (0.43) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611739-A Preparation method of benzoic acid intermediate and intermediate thereof 扬州奥锐特药业有限公司 2023-01-17 CN claimed
CN-112250546-B Synthesis method of (E) -3, 5-dihydroxyl-4-isopropyl stilbene 中山大学 2023-05-12 CN disclosed
CN-115803323-A Aminoimide compound, aminimide composition, curing agent, epoxy resin composition, method for producing aminimide compound, sealing material, and adhesive 旭化成株式会社 2023-03-14 CN disclosed
CN-111187153-B Preparation method of 1, 3-cyclohexanedione 山东亘元生物科技有限公司 2022-09-13 CN disclosed
CN-114805049-A Preparation method of 10-oxo-nonadecane diacid 深圳深信生物科技有限公司 2022-07-29 CN disclosed
CN-112457475-A Method for preparing modified PEF copolyester by using citric acid-based aromatic diester 天津理工大学 2021-03-09 CN disclosed
CN-108774544-B Oil product decolorizing agent 云南聚中能源科技有限公司 2021-01-22 CN disclosed
CN-108774544-B Oil product decolorizing agent 云南聚中能源科技有限公司 2021-01-22 CN disclosed
CN-112110828-A Synthesis method of pipadiric acid and intermediate thereof 杭州科巢生物科技有限公司 2020-12-22 CN disclosed
CN-111187153-A Preparation method of 1, 3-cyclohexanedione 文登市兴文新材料有限公司 2020-05-22 CN disclosed
US-20110098454-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2011-04-28 US disclosed
US-20110046358-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2011-02-24 US disclosed
US-7884167-B2 conducting a Michael addition of a compound (A) having a hydrogen atom of pKa less than or equal to 15 to a (meth)acrylate or a (meth)acrylamide (B), in which at least one of the compounds (A) and (B) has a photoisomerization group; optical recording material, optical waveguide material NITTO DENKO CORPORATION (JP) 2011-02-08 US disclosed
US-20090209741-A1 POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL NITTO DENKO CORPORATION (JP) 2009-08-20 US disclosed
US-20090182107-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2009-07-16 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
EP-0699201-A1 SUBSTITUTED METHYLENEDIOXY 3',4':6,7]INDOLIZINO- 1,2-$i(b)]QUINOLINONES SMITHKLINE BEECHAM CORPORATION (US) 1996-03-06 EP disclosed
EP-0699201-A4 SUBSTITUTED METHYLENEDIOXY 3',4':6,7]INDOLIZINO- 1,2--i(b)]QUINOLINONES SMITHKLINE BEECHAM CORP (US) 1996-01-22 EP disclosed
WO-1994025465-A1 SUBSTITUTED METHYLENEDIOXY[3',4':6,7]INDOLIZINO-[1,2-b]QUINOLINONES SMITHKLINE BEECHAM CORPORATION (US) 1994-11-10 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 (4 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-20110046358-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND ADCY10, ADCY5, ADCY1 HDAC1 4294/4885HDAC2 4492/4885CHRM1 1422/4885
US-20090209741-A1 POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL CRY1, HAX1, F12 HDAC1 3413/4885HDAC2 4661/4885CHRM1 27/4885
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B HDAC1 52/4885HDAC2 36/4885CHRM1 68/4885
US-20110098454-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND ADCY10, ADCY5, ADCY1 HDAC1 4249/4885HDAC2 4425/4885CHRM1 1651/4885

“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.