SCHEMBL1045280

SCHEMBL1045280

O=CNCCOC(=O)CNCCO.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8720300 0.79 ADH1B (0.36) ADH1BADH1AADH7
SCHEMBL876586 0.76 CA1 (0.36) LTA4HCA1CA2
SCHEMBL12572479 0.73 ADH1B (0.34) ADH1BADH1AADH7
SCHEMBL18265593 0.73 NAAA (0.45) ADH1BADH1AADH7HTTSMN1; SMN2
SCHEMBL19384420 0.72 ADH1B (0.40) ADH1BADH1AADH7
SCHEMBL18686287 0.72 ACHE (0.40)
SCHEMBL1632531 0.71 GAA (0.52) LTA4HSMN1; SMN2
SCHEMBL18265594 0.70 ADH1B (0.46) ADH1BADH1AADH7
SCHEMBL29254239 0.70 ACHE (0.38) LTA4HCA1CA2
SCHEMBL89278 0.70 TSHR (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404896-A1 Styling Shampoo Compositions BASF SE (DE) 2023-12-21 US claimed
US-20230404896-A1 Styling Shampoo Compositions BASF SE (DE) 2023-12-21 US disclosed
EP-4240316-A1 STYLING SHAMPOO COMPOSITIONS BASF SE (DE) 2023-09-13 EP disclosed
WO-2022228806-A1 BIPHASIC COSMETIC COMPOSITION AND APPLICATION THEREOF BASF SE (DE) 2022-11-03 WO disclosed
WO-2022096243-A1 STYLING SHAMPOO COMPOSITIONS BASF SE (DE) 2022-05-12 WO disclosed
US-20180303744-A1 COSMETIC COMPOSITION COMPRISING POLYURETHANE COVESTRO DEUTSCHLAND AG (DE) 2018-10-25 US disclosed
EP-2822532-B1 AQUEOUS POLYURETHANE DISPERSION IN THE TREATMENT OF ACNE COVESTRO DEUTSCHLAND AG (DE) 2018-09-19 EP disclosed
EP-3368003-A1 COSMETIC COMPOSITION COMPRISING POLYURETHANE Covestro Deutschland AG (DE) 2018-09-05 EP disclosed
WO-2017070919-A1 COSMETIC COMPOSITION COMPRISING POLYURETHANE COVESTRO DEUTSCHLAND AG (DE) 2017-05-04 WO disclosed
US-20150080352-A1 AQUEOUS POLYURETHANE DISPERSION IN THE TREATMENT OF ACNE BAYER MATERIALSCIENCE LLC (US) 2015-03-19 US disclosed
US-8623343-B2 Highly cationic copolymers based on quaternized nitrogen-containing monomers BASF SE (DE) 2014-01-07 US disclosed
US-20110158929-A1 METHOD FOR PRODUCING CROSS-LINKED ACRYLIC ACID POLYMERS BASF SE (DE) 2011-06-30 US disclosed
US-20110044933-A1 PARTICLES, OBTAINED BY DRYING AN AQUEOUS NANOUREA DISPERSION BAYER MATERIALSCIENCE AG (DE) 2011-02-24 US disclosed
US-20110003956-A1 LINEAR PRECIPITATED POLYMER BASF SE (DE) 2011-01-06 US disclosed
US-20100209361-A1 HIGHLY CATIONIC COPOLYMERS BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2010-08-19 US disclosed
US-20090060859-A1 IMIDAZOLIUM ALKYL (METH)ACRYLATE POLYMERS BASF SE (DE) 2009-03-05 US disclosed
EP-2027848-A2 Liquid skin cleanser with multiple signals of adequate wash duration with adequate mechanical force The Dial Corporation (US) 2009-02-25 EP disclosed
US-20080139433-A1 Mixtures And Method For Cleaning Surfaces BASF AKTIENGESELLSCHAFT (DE) 2008-06-12 US disclosed
US-20080014167-A1 SURFACTANT-CONTAINING CLEANSING COMPOSITION WITH SPECIAL PROTEINS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-17 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 (7 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-20150080352-A1 AQUEOUS POLYURETHANE DISPERSION IN THE TREATMENT OF ACNE UROD, CUTA, PUF60 LTA4H 772/4885CA1 4546/4885CA2 4420/4885
US-20100209361-A1 HIGHLY CATIONIC COPOLYMERS BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS PARN, PARG, NGLY1 LTA4H 2733/4885CA1 3165/4885CA2 1019/4885
US-20090060859-A1 IMIDAZOLIUM ALKYL (METH)ACRYLATE POLYMERS ACR, MMAB, PTEN LTA4H 1414/4885CA1 4690/4885CA2 3716/4885
US-20080014167-A1 SURFACTANT-CONTAINING CLEANSING COMPOSITION WITH SPECIAL PROTEINS SPG11, TTPA, RBP1 LTA4H 1740/4885CA1 3107/4885CA2 3114/4885
US-20180303744-A1 COSMETIC COMPOSITION COMPRISING POLYURETHANE XRCC6, PARG, PUF60 LTA4H 1450/4885CA1 2799/4885CA2 1982/4885
US-20110044933-A1 PARTICLES, OBTAINED BY DRYING AN AQUEOUS NANOUREA DISPERSION NCL, NUDT1, NPM1 LTA4H 3250/4885CA1 1465/4885CA2 1633/4885
US-20230404896-A1 Styling Shampoo Compositions SGMS2, SUCLG1, PLOD3 LTA4H 4273/4885CA1 3473/4885CA2 2400/4885

“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.