SCHEMBL10324232

SCHEMBL10324232

COC(C(=O)O)(C(=O)c1ccccc1)C(C)(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.50
SRC P12931 1/20 0.50
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 3/20 0.37
PPARA Q07869 1/20 0.37
CES2 O00748 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK1 Q15118 3/20 0.35
PDK2 Q15119 3/20 0.35
PDK3 Q15120 3/20 0.35
PDK4 Q16654 3/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27794375 1.00 CES1 (0.50) CES1SRCTSHRTDP1HSD17B10
SCHEMBL27980842 1.00 CES1 (0.50) CES1SRCTSHRTDP1HSD17B10
SCHEMBL28276721 0.87 CES1 (0.58) CES1SRCTSHRTDP1HSD17B10
SCHEMBL27961634 0.84 CES1 (0.51) CES1SRCTSHRTDP1HSD17B10
SCHEMBL28241325 0.83 TSHR (0.45) CES1SRCTSHRTDP1HSD17B10
SCHEMBL32101 0.82 CES1 (0.56) CES1SRCTSHRTDP1HSD17B10
SCHEMBL9718709 0.77 CES1 (0.55) CES1SRCTSHRTDP1HSD17B10
SCHEMBL28032281 0.76 SRC (0.48) CES1SRCTSHRTDP1HSD17B10
SCHEMBL50469 0.76 CES1 (0.58) CES1SRCTSHRTDP1HSD17B10
SCHEMBL4955716 0.76 CES1 (0.46) CES1SRCTSHRTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960036-B Preparation method of (R) -3-aminopiperidine dihydrochloride 大连双硼医药化工有限公司 2025-05-13 CN claimed
CN-118420658-B Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-09-20 CN claimed
CN-118420658-A Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-08-02 CN claimed
CN-114573503-B Method for preparing octreotide intermediate 浙江天宇药业股份有限公司 2024-04-09 CN claimed
CN-114644636-B Method for preparing tofacitinib key intermediate 江苏恒沛药物科技有限公司 2023-10-20 CN claimed
CN-121318964-A Resolution method of non-nelidone racemate 上海启讯医药科技有限公司 2026-01-13 CN disclosed
CN-116986962-B Method for biphase identification extraction resolution of ofloxacin chiral drug 华东理工大学 2025-08-12 CN disclosed
CN-115960036-B Preparation method of (R) -3-aminopiperidine dihydrochloride 大连双硼医药化工有限公司 2025-05-13 CN disclosed
CN-115960036-B Preparation method of (R) -3-aminopiperidine dihydrochloride 大连双硼医药化工有限公司 2025-05-13 CN disclosed
CN-118420658-B Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-09-20 CN disclosed
CN-118420658-A Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-08-02 CN disclosed
CN-118108612-A Preparation method of high-purity L-phenylephrine hydrochloride 南京海融制药有限公司 2024-05-31 CN disclosed
CN-106699712-A Vorapaxar intermediate and preparation method thereof 上海博志研新药物技术有限公司 2017-05-24 CN disclosed
CN-104284895-B Nitrogenous dicyclic aromatic heterocyclic compounds 安斯泰来制药株式会社 2016-08-31 CN disclosed
US-8748610-B2 Compounds as TRPV1 antagonists, pharmaceutical compositions and medical uses thereof FL THERAPEUTICS LLC (US) 2014-06-10 US disclosed
US-20120184509-A1 Compounds as TRVP1 Blockers, Pharmaceutical Compositions and Medical Uses Thereof ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2012-07-19 US disclosed
CN-102076338-A Diaryl ureas for the treatment of heart failure BAYER SCHERING PHARMA AG 2011-05-25 CN disclosed
CN-1671380-B Broadspectrum 2-amino-benzothiazole sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD 2010-05-26 CN disclosed
CN-1953751-A Combination of substituted 1-phenyl-1, 5-dihydro-pyrido- [3, 2-B ] indol-2-ones and other HIV inhibitors TIBOTEC PHARM LTD (IE) 2007-04-25 CN disclosed
CN-1671380-A Broadspectrum 2-amino-benzothiazole sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD (IE) 2005-09-21 CN 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 (1 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-20120184509-A1 Compounds as TRVP1 Blockers, Pharmaceutical Compositions and Medical Uses Thereof TRPV1, TRPV4, TRPV3 CES1 1847/4885SRC 3352/4885TSHR 2096/4885

“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.