SCHEMBL26445

SCHEMBL26445

CC(C)CCCCCCOCCCN

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ODC1 P11926 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
HTT P42858 2/20 0.34
TLR2 O60603 5/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
RARB P10826 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL5695278 1.00 CYP3A4 (0.41) CYP3A4LMNAHTR1AHTR1DHTR1B
SCHEMBL8391126 1.00 CYP3A4 (0.41) CYP3A4LMNAHTR1AHTR1DHTR1B
SCHEMBL496717 1.00 CYP3A4 (0.41) CYP3A4LMNAHTR1AHTR1DHTR1B
SCHEMBL495770 1.00 CYP3A4 (0.41) CYP3A4LMNAHTR1AHTR1DHTR1B
SCHEMBL587402 1.00 CYP3A4 (0.41) CYP3A4LMNAHTR1AHTR1DHTR1B
SCHEMBL23270388 1.00 CYP3A4 (0.41) CYP3A4LMNAHTR1AHTR1DHTR1B
SCHEMBL20090501 0.98 CYP3A4 (0.42) CYP3A4LMNAHTR1AHTR1DHTR1B
Ethylene SCHEMBL15689753 0.96 CYP3A4 (0.39) CYP3A4LMNAHTR1AHTR1DHTR1B
Ethylene SCHEMBL14485776 0.96 CYP3A4 (0.39) CYP3A4LMNAHTR1AHTR1DHTR1B
SCHEMBL22525986 0.95 CYP3A4 (0.41) CYP3A4LMNAHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437309-A Aqueous dispersion of high-toughness polyurethane or polyurethane urea, preparation method and application thereof 上海名流卫生用品股份有限公司 2022-05-06 CN claimed
CN-111958746-B Polyurethane urea dispersoid, adhesive composite material and application of polyurethane urea dispersoid and adhesive composite material in preparation of aldehyde-free added ultrathin high-density fiberboard 万华化学集团股份有限公司 2022-02-18 CN claimed
CN-111019079-B Aqueous dispersion of polyurethane or polyurethane urea and preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN claimed
CN-107001554-B Polyurethaneurea solutions for nail polish compositions 科思创聚合物(中国)有限公司 2021-06-29 CN claimed
CN-111958746-A Polyurethane urea dispersoid, adhesive composite material and application of polyurethane urea dispersoid and adhesive composite material in preparation of aldehyde-free added ultrathin high-density fiberboard 万华化学集团股份有限公司 2020-11-20 CN claimed
CN-111019079-A Aqueous dispersion of polyurethane or polyurethane urea and preparation method and application thereof 万华化学集团股份有限公司 2020-04-17 CN claimed
US-10233279-B2 Poly(THF)-based polyurethane dispersions Covestro-Deutschland AG (DE) 2019-03-19 US claimed
US-8114938-B2 Polyurethane dispersions for use in personal care products BAYER MATERIALSCIENCE LLC (US) 2012-02-14 US claimed
US-8034322-B2 Polyurethane dispersions based on polycarbonate polyols and suitable for use in personal care products BAYER MATERIALSCIENCE LLC (US) 2011-10-11 US claimed
EP-1970391-B1 Polyurethane dispersions for use in personal care products BAYER MATERIALSCIENCE LLC (US) 2011-05-18 EP claimed
US-20090041689-A1 POLYURETHANE DISPERSIONS BASED ON POLYCARBONATE POLYOLS AND SUITABLE FOR USE IN PERSONAL CARE PRODUCTS BAYER MATERIALSCIENCE LLC (US) 2009-02-12 US claimed
US-20090022678-A1 POLYURETHANE DISPERSIONS FOR USE IN PERSONAL CARE PRODUCTS COVESTRO LLC 2009-01-22 US claimed
US-7452525-B1 Polyurethane dispersions based on polycarbonate polyols and suitable for use in personal care products BAYER MATERIALSCIENCE LLC 2008-11-18 US claimed
US-7445770-B2 Polyurethane dispersions for use in personal care products BAYER MATERIALSCIENCE LLC (US) 2008-11-04 US claimed
US-20080226569-A1 Polyurethane dispersions for use in personal care products BAYER MATERIALSCIENCE LLC 2008-09-18 US claimed
EP-1970391-A2 Polyurethane dispersions for use in personal care products Bayer MaterialScience LLC (US) 2008-09-17 EP claimed
EP-0406623-B1 Polyaspartic acid derivatives as a coating for pharmaceutical forms and foodstuffs ROEHM GMBH (DE) 1994-11-30 EP claimed
US-5175285-A POLYMERS DERIVED FROM POLYSUCCINIMIDE, USED AS SURFACE COATINGS FOR MEDICINALS AND FOODS ROHM GMBH CHEMISCHE FABRIK (DE) 1992-12-29 US claimed
EP-0406623-A2 Polyaspartic acid derivatives as a coating for pharmaceutical forms and foodstuffs Röhm GmbH (DE) 1991-01-09 EP claimed
US-4045424-A Salt of a sulfonic acid substituted 1:2 metal complex dye with a basic dye and an amine BASF AKTIENGESELLSCHAFT (DT) 1977-08-30 US 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 (3 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-20080226569-A1 Polyurethane dispersions for use in personal care products C1R, PARN, DUOX2 CYP3A4 1084/4885LMNA 1125/4885HTR1A 1218/4885
US-20090041689-A1 POLYURETHANE DISPERSIONS BASED ON POLYCARBONATE POLYOLS AND SUITABLE FOR USE IN PERSONAL CARE PRODUCTS PUF60, PARG, PCBP1 CYP3A4 2391/4885LMNA 923/4885HTR1A 4792/4885
US-20090022678-A1 POLYURETHANE DISPERSIONS FOR USE IN PERSONAL CARE PRODUCTS C1R, PARN, DUOX2 CYP3A4 1084/4885LMNA 1125/4885HTR1A 1218/4885

“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.