SCHEMBL249566

SCHEMBL249566

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
CES2 O00748 2/20 0.57
CES1 P23141 2/20 0.57
PARP10 Q53GL7 2/20 0.53
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
HPGD P15428 2/20 0.50
PLK1 P53350 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
GSK3B P49841 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL1009824 1.00 CA1 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL1009355 1.00 CA1 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL3823617 1.00 CA1 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL7637140 0.82 CES2 (0.59) CA1CA2CES2CES1PARP10
SCHEMBL27860116 0.80 CES2 (0.57) CA1CA2CES2CES1PARP10
SCHEMBL28855975 0.79 CA1 (0.55) CA1CA2CES2CES1PARP10
SCHEMBL757101 0.79 CES2 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL4949476 0.78 CES2 (0.62) CES2CES1PARP1KMT2AMEN1
SCHEMBL16321528 0.78 CA1 (0.49) CA1CA2CES2CES1PARP10
SCHEMBL29733566 0.78 CA1 (0.49) CA1CA2CES2CES1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125390-A1 SOLID FORMS OF MACROCYCLIC COMPOUNDS, SALTS AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE SAME KURA ONCOLOGY INC (US) 2026-05-07 US claimed
EP-4720073-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS Kura Oncology, Inc. (US) 2026-04-08 EP claimed
WO-2024245364-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS KURA ONCOLOGY, INC. (US) 2024-12-05 WO claimed
CN-118994172-A Preparation method of poncirtinib phosphate 广州科锐特生物科技有限公司 2024-11-22 CN claimed
WO-2024184926-A1 PROCESS FOR PREPARATION OF CHIRAL RUXOLITINIB AND SALTS THEREOF AARTI PHARMALABS LIMITED (IN) 2024-09-12 WO claimed
CN-117222623-A Acid addition salts of (S) -3- (2, 5-dimethoxy-4- (trifluoromethyl) phenyl) piperidine and (S) -3- (2-methoxy-5- (methylthio) -4- (trifluoromethyl) phenyl) piperidine, specific polymorphs thereof and processes for preparing the same 罗弗拉有限公司 2023-12-12 CN claimed
CN-116854642-A Preparation method of (S) -2-piperazine acetonitrile and hydrochloride thereof 重庆博腾制药科技股份有限公司 2023-10-10 CN claimed
CN-116135866-A Bridged carboxylic acid-containing difunctional phosphine ligand, preparation method and application thereof 中山大学 2023-05-19 CN claimed
US-11578041-B2 Crystals of hydroxychloroquine sulfate GENOVATE BIOTECHNOLOGY CO. LTD. (TW) 2023-02-14 US claimed
CN-108884081-B Process for separating enantiomers of piperazine derivatives 阿森纽荣股份公司 2022-11-01 CN claimed
WO-2008146249-A1 PROCESSES FOR THE PREPARATION OF CLOPIDOGREL WOCKHARDT RESEARCH CENTRE (IN) 2008-12-04 WO claimed
EP-1984368-A2 IMPROVED PROCESS FOR THE PREPARATION OF AN OPTICALLY ACTIVE 5H-PYRROLO [3,4-B]PYRAZINE DERIVATIVE Glenmark Pharmaceuticals Limited (IN) 2008-10-29 EP claimed
WO-2008107911-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2008-09-12 WO claimed
WO-2008068569-A2 PROCESSES FOR THE PREPARATION OF CLOPIDOGREL HYDROCHLORIDE WOCKHARDT RESEARCH CENTRE (IN) 2008-06-12 WO claimed
WO-2007083188-A2 IMPROVED PROCESS FOR THE PREPARATION OF AN OPTICALLY ACTIVE 5H-PYRROLO [3,4-B] PYRAZINE DERIVATIVE GLENMARK PHARMACEUTICALS LIMITED (US) 2007-07-26 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
WO-2004010985-A1 PERSONAL DEODORANT BETTS JOHN ADRIAN (GB) 2004-02-05 WO 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 (2 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-20260125390-A1 SOLID FORMS OF MACROCYCLIC COMPOUNDS, SALTS AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE SAME FDPS, PCTP, MTTP CA1 1383/4885CA2 349/4885CES2 3211/4885
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 CA1 2106/4885CA2 2307/4885CES2 1406/4885

“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.