SCHEMBL94677

SCHEMBL94677

CCOC=CC(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.58
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.41
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MDM2 Q00987 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6445496 1.00 HCAR2 (0.58) HCAR2MAPTNPSR1CA12CA1
SCHEMBL94676 1.00 HCAR2 (0.58) HCAR2MAPTNPSR1CA12CA1
SCHEMBL361271 0.85 HCAR2 (0.59) HCAR2MAPTNPSR1CA12CA1
SCHEMBL1888855 0.85 HCAR2 (0.59) HCAR2MAPTNPSR1CA12CA1
SCHEMBL28399684 0.85 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL31058784 0.82 HCAR2 (0.46) HCAR2MAPTNPSR1CA12CA1
SCHEMBL30965305 0.82 HCAR2 (0.46) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL43033 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL42602 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL60423 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371609-A Curing composition, preparation method and application thereof 天合光能股份有限公司 2025-01-28 CN claimed
CN-118006150-A Micro-cement paint and preparation method thereof 广东浮斐尼创意科技有限公司 2024-05-10 CN claimed
CN-117024679-A Organic-inorganic crosslinked gel precursor nanoparticle, composite gel diaphragm, lithium battery, and preparation methods and applications thereof 湖州耀宁固态电池研究院有限公司 2023-11-10 CN claimed
CN-116179096-A Identification adhesive tape and preparation method thereof 东莞澳中新材料科技股份有限公司 2023-05-30 CN claimed
CN-115006606-B Hydrophilic lubricating coating and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-02-24 CN claimed
CN-112225939-B Humidity response type composite inverse opal photonic crystal film and preparation method thereof 大连民族大学 2023-02-10 CN claimed
CN-115572071-A False tooth preparation method 山东工业陶瓷研究设计院有限公司 2023-01-06 CN claimed
CN-114656589-B Underwater direct operation type high-strength wet adhesive material and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-11-11 CN claimed
CN-115006606-A Hydrophilic lubricating coating and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-09-06 CN claimed
CN-114656589-A Underwater direct operation type high-strength wet adhesive material and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-06-24 CN claimed
WO-2004048318-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES PFIZER PRODUCTS INC. (US) 2004-06-10 WO claimed
CN-1461748-A Synthesis process of jiatisasin HUBEI BAIKE MEDICINE IND CO LT (CN) 2003-12-17 CN claimed
US-20030073834-A1 Purine compounds having PDE IV inhibitory activity and methods of synthesis CAVALLA DAVID J (GB) 2003-04-17 US claimed
EP-1045850-A4 PURINE COMPOUNDS HAVING PDE IV INHIBITORY ACTIVITY AND METHODS OF SYNTHESIS EURO CELTIQUE SA (LU) 2001-10-31 EP claimed
CN-1281458-A Purine compounds having PDE IV inhibitory activity and methods of synthesis EURO CELTIQUE SA (LU) 2001-01-24 CN claimed
EP-1045850-A1 PURINE COMPOUNDS HAVING PDE IV INHIBITORY ACTIVITY AND METHODS OF SYNTHESIS Euro-Celtique S.A. (LU) 2000-10-25 EP claimed
WO-1999029694-A1 PURINE COMPOUNDS HAVING PDE IV INHIBITORY ACTIVITY AND METHODS OF SYNTHESIS EURO-CELTIQUE, S.A. (LU) 1999-06-17 WO claimed
EP-0132851-B1 5-SUBSTITUTED(1,2,4)TRIAZOLO(1,5-C)PYRIMIDIN-2-AMINES AMERICAN CYANAMID COMPANY (US) 1989-10-04 EP claimed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 EP claimed
EP-0132851-A1 5-Substituted(1,2,4)triazolo(1,5-c)pyrimidin-2-amines AMERICAN CYANAMID COMPANY (US) 1985-02-13 EP 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 (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-20030073834-A1 Purine compounds having PDE IV inhibitory activity and methods of synthesis PDE3B, PDE3A, PDE4A HCAR2 1336/4885MAPT 4851/4885NPSR1 1983/4885

“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.