SCHEMBL948059

SCHEMBL948059

NCCNN1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.36
CXCR4 P61073 1/20 0.33
CA12 O43570 2/20 0.32
CA6 P23280 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
ALOX15 P16050 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2814300 0.97
SCHEMBL27706726 0.86 CA12 (0.48) ACE2CXCR4CA12CA6CA7
SCHEMBL23067998 0.86
SCHEMBL2336421 0.86 ACE2 (0.40) ACE2CA12CA6CA7CA9
SCHEMBL947067 0.85 CASP2 (0.36) ACE2CA12CA6CA7CA9
SCHEMBL3968889 0.83 CA12 (0.50) ACE2CA12CA6CA7CA9
SCHEMBL5501507 0.83 CA12 (0.39) ACE2CA12CA6CA7CA9
SCHEMBL28518647 0.81 GNAI3 (0.40) CA12CA6CA7CA9CA14
SCHEMBL17740072 0.78 GNAI3 (0.41) CA12CA6CA7CA9CA14
SCHEMBL947315 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115895508-A Adhesive film composition, packaging adhesive film and photovoltaic module 杭州福斯特应用材料股份有限公司 2023-04-04 CN claimed
CN-115011046-A Anti-fatigue flame-retardant PVC (polyvinyl chloride) plastic boot 安徽冠泓塑业有限公司 2022-09-06 CN claimed
CN-111892757-A Water-tree-resistant polyolefin cable material and preparation method thereof 浙江太湖远大新材料股份有限公司 2020-11-06 CN claimed
CN-116410637-B Rare earth antibacterial and antiviral rare earth finishing paint and application thereof 杭州开物鑫工程技术有限公司 2023-11-24 CN disclosed
CN-116410637-A Rare earth antibacterial and antiviral rare earth finishing paint and application thereof 杭州开物鑫工程技术有限公司 2023-07-11 CN disclosed
CN-115895508-A Adhesive film composition, packaging adhesive film and photovoltaic module 杭州福斯特应用材料股份有限公司 2023-04-04 CN disclosed
CN-115011046-A Anti-fatigue flame-retardant PVC (polyvinyl chloride) plastic boot 安徽冠泓塑业有限公司 2022-09-06 CN disclosed
CN-108912468-B Anti-aging bubble film and forming process thereof 厦门协四方工贸有限公司 2021-03-19 CN disclosed
CN-111892757-A Water-tree-resistant polyolefin cable material and preparation method thereof 浙江太湖远大新材料股份有限公司 2020-11-06 CN disclosed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
CN-109233045-A A kind of EPE packaging material and preparation method thereof and protective case 厦门市地隆包装材料有限公司 2019-01-18 CN disclosed
EP-1385577-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. Hoffman-la Roche AG (CH) 2004-02-04 EP disclosed
US-20030158187-A1 Isolated nucleic acids, a diagnostic kit, sequence identification, gene sequence determination, a computer program with stored sequence information F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003064685-A2 GENETIC POLYMORPHISMS IN THE PREPROTACHYKININ GENE F. HOFFMANN-LA ROCHE AG (CH) 2003-08-07 WO disclosed
CN-1426302-A Method for treating brain, spinal cord and nerve injury HOFFMANN LA ROCHE (CH) 2003-06-25 CN disclosed
US-20030109417-A1 Brain, spinal, and nerve injury treament EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2003-06-12 US disclosed
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
EP-1261335-A1 BRAIN, SPINAL AND NERVE INJURY TREATMENT F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
WO-2002085458-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. HOFFMAN-LA ROCHE AG (CH) 2002-10-31 WO disclosed
WO-2001052844-A1 BRAIN, SPINAL AND NERVE INJURY TREATMENT F. HOFFMANN-LA ROCHE AG (CH) 2001-07-26 WO 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-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia KLK3, TACR1, TACR2 ACE2 2329/4885CXCR4 1099/4885CA12 4580/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 ACE2 1966/4885CXCR4 832/4885CA12 3562/4885

“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.