SCHEMBL5073591

SCHEMBL5073591

[CH2]C(OCC)(OCC)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL10646386 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL537765 0.92 ADRB2 (0.41) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL910299 0.90 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL5909092 0.90 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL691901 0.81
SCHEMBL27879534 0.76 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL5239732 0.75
SCHEMBL27996607 0.74 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL133600 0.74
SCHEMBL17048695 0.72 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRCYP3A4

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
EP-1904556-A2 POLYASPARTIC ACID DERIVATIVES IN COVERING AGENTS CONTAINING POLYSILOXANE Lanxess Deutschland GmbH (DE) 2008-04-02 EP disclosed
CN-1311988-C Imide compounds and optical recording media made by using the same MITSUI CHEMICALS INC (JP) 2007-04-25 CN disclosed
WO-2007003264-A2 POLYASPARTIC ACID DERIVATIVES IN COVERING AGENTS CONTAINING POLYSILOXANE LANXESS DEUTSCHLAND GMBH (DE) 2007-01-11 WO disclosed
CN-1867980-A Optical recording medium and compound for use in the same MITSUI CHEMICALS INC (JP) 2006-11-22 CN disclosed
EP-1518881-A2 Polymer modified by a polyether as adjuvant in leather manufacture Bayer Chemicals AG (DE) 2005-03-30 EP disclosed
US-20050058619-A1 Polyether-modified polymers as leather auxiliaries LANXESS DEUTSCHLAND GMBH (DE) 2005-03-17 US disclosed
CN-1575236-A Imide compounds and optical recording media made by using the same MITSUI CHEMICALS INC OGISO AKI (JP) 2005-02-02 CN 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-20050058619-A1 Polyether-modified polymers as leather auxiliaries PUF60, B2M, CBR3 ADRB2 1873/4885ADRB1 3184/4885ADRB3 2164/4885

“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.