SCHEMBL687625

SCHEMBL687625

COCCOCCOCC[O]

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL688085 1.00 CA2 (0.41) CA2CYP3A4TSHR
SCHEMBL2397059 1.00 CA2 (0.41) CA2CYP3A4TSHR
SCHEMBL28408357 1.00 CA2 (0.41) CA2CYP3A4TSHR
SCHEMBL5243057 1.00 CA2 (0.41) CA2CYP3A4TSHR
SCHEMBL224425 1.00
SCHEMBL5240827 1.00 CA2 (0.41) CA2CYP3A4TSHR
Hydrochloric Acid SCHEMBL28135038 0.94 CA2 (0.39) CA2CYP3A4TSHR
SCHEMBL23647292 0.83 CA2 (0.44) CA2CYP3A4TSHR
SCHEMBL14920 0.83 CA2 (0.44) CA2CYP3A4TSHR
SCHEMBL4607864 0.83 CA2 (0.44) CA2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109160533-B Blocky SrTiO3Method for producing aerogels 南京工业大学 2021-04-20 CN claimed
CN-111662333-A Bis-terpyridyl iridium (III) complex and synthetic method thereof 天津理工大学 2020-09-15 CN claimed
US-20170250444-A1 HALOGEN-FREE ELECTROLYTES UNITED STATES DEPARTMENT OF ENERGY 2017-08-31 US claimed
WO-2017139265-A1 ELECTROLYTES CONTAINING SUPERHALOGENS FOR METAL ION BATTERIES VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-08-17 WO claimed
CN-103890658-A Photosensitive resin composition for color filter and color filter made by using the same DONGJIN SEMICOHEM CO LTD 2014-06-25 CN claimed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP claimed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US claimed
CN-101393128-A Application of fluorescent probe for detecting enzyme activity and screening passivating agent CHINESE ACAD INST CHEMISTRY (CN) 2009-03-25 CN claimed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US claimed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP claimed
US-6933063-B2 Spirobifluorene compounds, electroluminescence polymer and electroluminescence element having the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2005-08-23 US claimed
US-20030044641-A1 Spirobifluorene compounds, electroluminescence polymer and electroluminescence element having the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2003-03-06 US claimed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US claimed
US-4950677-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1990-08-21 US claimed
US-4940492-A Colorant mixtures containing isoquinoline derivatives, use thereof in printing inks, and novel isoquinoline derivatives BASF AKTIENGESELLSCHAFT (DE) 1990-07-10 US claimed
US-4917989-A MULTILAYER; TRANSPARENT SUBSTRATE, DYE AND REFLECTOR BASF AKTIENGESELLSCHAFT (DE) 1990-04-17 US claimed
EP-0304624-A2 Benzimidazol-2-yl-pyridinum compounds F. HOFFMANN-LA ROCHE AG (CH) 1989-03-01 EP claimed
US-20240188414-A1 CONJUGATED ANTHRADITHIOPHENE TERPOLYMERS AND PHOTOVOLTAIC DEVICES CONTAINING THEM ENI SPA (IT) 2024-06-06 US disclosed
WO-1986003747-A1 NEW CARBONIC ACID ESTERS CIBA-GEIGY AG (CH) 1986-07-03 WO disclosed
US-4596882-A Modified silacrown ethers and methods of making same PETRARCH SYSTEMS INC. (US) 1986-06-24 US 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CA2 1628/4885CYP3A4 1704/4885TSHR 3257/4885

“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.