SCHEMBL5600840

SCHEMBL5600840

CC(C)c1ccccc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
ADRA2A P08913 4/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
PTPN1 P18031 2/20 0.40
PTPRC P08575 1/20 0.40
PTPRF P10586 1/20 0.40
CDC25B P30305 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HTR2C P28335 3/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A2 P23975 3/20 0.35
CYP1A2 P05177 2/20 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
Hydrogen Peroxide SCHEMBL11527811 0.96 PTGDR2 (0.44) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL19523190 0.94 ADRA2A (0.42) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL31733803 0.86 PTGS2 (0.41) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL9203356 0.85 PTGDR2 (0.41) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL11366017 0.85 PTGS2 (0.43) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL11146962 0.83 ADRA2A (0.39) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL7496181 0.82 ADRA2A (0.40) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL61010 0.82 GAA (0.42) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL22156257 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL11863751 0.81 HTR1A (0.40) PTGS2ADRA2AADRA2BADRA2CGABRA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184917-A SBS elastomer and preparation method and application thereof 广东众和工程设计有限公司 2024-06-14 CN claimed
CN-118184917-A SBS elastomer and preparation method and application thereof 广东众和工程设计有限公司 2024-06-14 CN disclosed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO disclosed
CN-114805970-A Production process of rubber sealing ring of filter 江苏恒丰橡胶制品有限公司 2022-07-29 CN disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed
US-7297754-B2 Method for the preparation of aromatic chloroformates GENERAL ELECTRIC COMPANY (US) 2007-11-20 US disclosed
US-20060293535-A1 Method for the preparation of aromatic chloroformates SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2006-12-28 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-20060293535-A1 Method for the preparation of aromatic chloroformates PAH, CYP8B1, HPD PTGS2 807/4885ADRA2A 648/4885ADRA2B 642/4885

“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.