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SCHEMBL698454

SCHEMBL698454

COc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(OC)cc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ CA1 P00915 4/20 0.60
▸ CA2 P00918 4/20 0.60
▸ MAPT P10636 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ CES2 O00748 2/20 0.53
▸ CES1 P23141 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52
▸ PARP1 P09874 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ PARP4 Q9UKK3 1/20 0.50
▸ ELANE P08246 1/20 0.50

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
SCHEMBL7967084 1.00 TP53 (0.63) TP53TSHRCA1CA2MAPT
SCHEMBL249567 1.00 TP53 (0.63) TP53TSHRCA1CA2MAPT
SCHEMBL14420469 1.00 TP53 (0.63) TP53TSHRCA1CA2MAPT
SCHEMBL935315 1.00 TP53 (0.63) TP53TSHRCA1CA2MAPT
SCHEMBL6855565 1.00 TP53 (0.63) TP53TSHRCA1CA2MAPT
SCHEMBL10016798 0.93 NPSR1 (0.62) TP53TSHRCA1CA2MAPT
SCHEMBL10016797 0.93 NPSR1 (0.62) TP53TSHRCA1CA2MAPT
SCHEMBL13701278 0.90 CA1 (0.53) TP53TSHRCA1CA2MAPT
SCHEMBL13943243 0.90 CA1 (0.53) TP53TSHRCA1CA2MAPT
SCHEMBL25881959 0.90 CA1 (0.53) TP53TSHRCA1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843454-A Menthol slow-release eutectic compound and preparation method and application thereof 湖北中烟工业有限责任公司 2024-04-09 — — CN claimed
CN-116836069-B Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2024-01-30 — — CN claimed
CN-116836069-A Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2023-10-03 — — CN claimed
CN-108884081-B Process for separating enantiomers of piperazine derivatives 阿森纽荣股份公司 2022-11-01 — — CN claimed
CN-114349728-A Preparation method of (3R, 4R) -4-aminotetrahydropyran-3-ol and salt thereof 南京药石科技股份有限公司 2022-04-15 — — CN claimed
EP-3419974-B1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-05-05 — — EP claimed
CN-111763209-A Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2020-10-13 — — CN claimed
CN-111004120-A Preparation method of di-p-methoxybenzoyl tartaric acid 山东金城柯瑞化学有限公司 2020-04-14 — — CN claimed
US-10385006-B2 Process for the preparation of amino alcohol derivatives or salts thereof GRANULES INDIA LIMITED (IN) 2019-08-20 — — US claimed
US-10344021-B2 Process for the separation of enantiomers of piperazine derivatives ASCENEURON S A (CH) 2019-07-09 — — US claimed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 — — US claimed
US-8222454-B2 Process for preparing optical pure milnacipran and its pharmaceutically accepted salts Zhejiang Haisen Pharmaceutical Co., Ltd. (CN) 2012-07-17 — — US claimed
US-20120165524-A1 Process for Preparing Levosimendan and Intermediates for Use in the Process CIPLA LIMITED (IN) 2012-06-28 — — US claimed
EP-2454241-A1 PROCESS FOR PREPARING LEVOSIMENDAN AND INTERMEDIATES FOR USE IN THE PROCESS CIPLA LIMITED (IN) 2012-05-23 — — EP claimed
WO-2011007123-A1 PROCESS FOR PREPARING LEVOSIMENDAN AND INTERMEDIATES FOR USE IN THE PROCESS CIPLA LIMITED (IN) 2011-01-20 — — WO claimed
WO-2010010359-A2 A PROCESS FOR THE PREPARATION OF CINACALCET AND ITS SALTS CILPA LIMITED (IN) 2010-01-28 — — WO claimed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 — — EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 — — US claimed
EP-1192134-A2 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL Aventis Pharmaceuticals Inc. (US) 2002-04-03 — — EP claimed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 — — WO claimed

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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 TP53 1309/4885TSHR 1512/4885CA1 2106/4885
US-20120165524-A1 Process for Preparing Levosimendan and Intermediates for Use in the Process CYP3A5, HTR5A, CYP2D6 TP53 4672/4885TSHR 456/4885CA1 2522/4885
US-10344021-B2 Process for the separation of enantiomers of piperazine derivatives CYP3A5, CYP4Z1, HTR5A TP53 4561/4885TSHR 3669/4885CA1 3431/4885
US-10385006-B2 Process for the preparation of amino alcohol derivatives or salts thereof ADH1C, ADH1A, ALDH7A1 TP53 3624/4885TSHR 4711/4885CA1 1334/4885

“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.