SCHEMBL25521

SCHEMBL25521

C=CC(=O)OCCC(C)CCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN1 P18031 2/20 0.45
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
EGFR P00533 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28927310 1.00 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDBLM
SCHEMBL12198799 0.89 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDBLM
SCHEMBL9103359 0.89 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20996776 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDBLM
SCHEMBL11534898 0.86 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9328527 0.86 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDBLM
SCHEMBL650621 0.85 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDBLM
SCHEMBL34661 0.85 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29550542 0.85 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11529650 0.85 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777947-A High-weather-resistance pressure-sensitive adhesive and preparation method thereof 博益鑫成高分子材料股份有限公司 2024-03-29 CN claimed
CN-115368523-B Multi-block thermoplastic elastomer and preparation method thereof 安徽农业大学 2024-03-19 CN claimed
CN-115368523-A Multi-block thermoplastic elastomer and preparation method thereof 安徽农业大学 2022-11-22 CN claimed
CN-117777947-A High-weather-resistance pressure-sensitive adhesive and preparation method thereof 博益鑫成高分子材料股份有限公司 2024-03-29 CN disclosed
CN-117777947-A High-weather-resistance pressure-sensitive adhesive and preparation method thereof 博益鑫成高分子材料股份有限公司 2024-03-29 CN disclosed
CN-115368523-B Multi-block thermoplastic elastomer and preparation method thereof 安徽农业大学 2024-03-19 CN disclosed
WO-2023212565-A2 MOLECULAR EDITING OF MULTIPLE C-H BONDS BY LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 WO disclosed
CN-115368523-A Multi-block thermoplastic elastomer and preparation method thereof 安徽农业大学 2022-11-22 CN disclosed
CN-114181348-B Full-bio-based bottle brush-shaped thermoplastic elastomer and preparation method thereof 安徽农业大学 2022-08-26 CN disclosed
CN-114181348-A Full-bio-based bottle brush-shaped thermoplastic elastomer and preparation method thereof 安徽农业大学 2022-03-15 CN disclosed
CN-104470999-A Optical fiber primary coating composition containing non-radiation curable component CORNING INC 2015-03-25 CN disclosed
EP-2556128-B1 CROSSLINKABLE SYRUP COPOLYMERS WITH AMINOALKYL (METH)ACRYLOYL SOLVENT MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2014-06-04 EP disclosed
EP-2257577-B1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH AZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2011-07-20 EP disclosed
US-20100081759-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH AZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2010-04-01 US disclosed
US-7652103-B2 Acrylic pressure-sensitive adhesives with aziridine crosslinking agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-01-26 US disclosed
US-20090208740-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH AZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2009-08-20 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 (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-20100081759-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH AZIRIDINE CROSSLINKING AGENTS AAAS, CDH1, PTK2 TSHR 4673/4885ALDH1A1 698/4885CYP3A4 4413/4885
US-20090208740-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH AZIRIDINE CROSSLINKING AGENTS AAAS, CDH1, PTK2 TSHR 4673/4885ALDH1A1 698/4885CYP3A4 4413/4885

“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.