SCHEMBL2824765

SCHEMBL2824765

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
BLM P54132 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 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
SCHEMBL7783900 0.88 CA1 (0.39) CA1BLMCYP1A2L3MBTL1SLC1A3
SCHEMBL2821206 0.80 CA1 (0.33) CA1L3MBTL1
SCHEMBL27726679 0.78 L3MBTL1 (0.34) CA1ALDH1A1L3MBTL1
SCHEMBL17376827 0.77 CA1 (0.34) CA1BLMMEN1ALDH1A1CYP1A2
SCHEMBL5052831 0.77 MEN1 (0.31) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL8678816 0.77 TET2 (0.31) CA1BLML3MBTL1
SCHEMBL3896850 0.76 GRM2 (0.36) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL14920098 0.76 L3MBTL1 (0.42) CA1BLMMEN1ALDH1A1CYP1A2
SCHEMBL37688 0.76 TSHR (0.39) CA1BLMMEN1ALDH1A1CYP1A2
SCHEMBL1033008 0.75 ALDH1A1 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A

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-105646214-B The preparation method of ethyl isoamyl-malonic acid diethylester 潍坊晶润化工有限公司 2018-02-13 CN claimed
CN-105646214-A Preparation method of diethyl ethylisopentylmalonate 潍坊晶润化工有限公司 2016-06-08 CN claimed
CN-109666160-B Dynamic polymer with hybrid cross-linked network 厦门天策材料科技有限公司 2023-07-14 CN disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed
CN-105646214-B The preparation method of ethyl isoamyl-malonic acid diethylester 潍坊晶润化工有限公司 2018-02-13 CN disclosed
CN-105646214-B The preparation method of ethyl isoamyl-malonic acid diethylester 潍坊晶润化工有限公司 2018-02-13 CN disclosed
CN-105646214-B The preparation method of ethyl isoamyl-malonic acid diethylester 潍坊晶润化工有限公司 2018-02-13 CN disclosed
US-RE41289-E1 Ultrashort acting hypnotic barbiturates ARYX THERAPEUTICS, INC. (US) 2010-04-27 US disclosed
US-7041673-B2 High speed metabolism; antiepileptic agents; anesthetics; central nervous system disorders; anxiolytic agents ARYX THERAPEUTICS, INC. (US) 2006-05-09 US disclosed
US-20040167143-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2004-08-26 US disclosed
US-6683086-B2 DERIVATIVES OF BARBITURIC AND THIOBARBITURIC ACIDS; RAPIDLY METABOLIZED BY BLOOD AND TISSUE ENZYMES TO FORM POLAR METABOLITES WITH NO HYPNOTIC ACTIVITY AND WHICH ARE RAPIDLY ELIMINATED ARYX THERAPEUTICS 2004-01-27 US disclosed
US-20030100575-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-05-29 US disclosed
EP-1276728-A2 ULTRASHORT ACTING HYPNOTIC BARBITURATES ARYx Therapeutics (US) 2003-01-22 EP disclosed
US-6387914-B2 PROVIDING SEDATIVE-HYPNOTIC TREATMENT BY ADMINISTERING BARBITURATE DERIVATIVE COMPOUND ARYX THERAPEUTICS 2002-05-14 US disclosed
US-20020013330-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2002-01-31 US disclosed
WO-2001081319-A2 ULTRASHORT ACTING HYPNOTIC BARBITURATES ARYX THERAPEUTICS (US) 2001-11-01 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 (7 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-20040167143-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 CA1 137/4885BLM 4795/4885MEN1 4212/4885
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A CA1 2605/4885BLM 3608/4885MEN1 1772/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 CA1 2620/4885BLM 3948/4885MEN1 1107/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 CA1 2687/4885BLM 2838/4885MEN1 2488/4885
US-20030100575-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 CA1 137/4885BLM 4795/4885MEN1 4212/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CA1 3481/4885BLM 2264/4885MEN1 1056/4885
US-20020013330-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 CA1 137/4885BLM 4795/4885MEN1 4212/4885

“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.