SCHEMBL3137072

SCHEMBL3137072

CC(I)C(=O)OCCOC(=O)C(C)I

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
DGKA P23743 1/20 0.31
ACHE P22303 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
SCHEMBL24246399 0.92 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL5613628 0.87
SCHEMBL23870928 0.85
SCHEMBL23867004 0.83 CYP2D6 (0.40) TSHRALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL29106723 0.83 ALDH1A1 (0.54) TSHRALDH1A1ACHE
SCHEMBL23870849 0.83 SCN1A (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5613264 0.83 ALDH1A1 (0.54) TSHRALDH1A1ACHE
SCHEMBL25946597 0.82 TSHR (0.33) TSHRALDH1A1
SCHEMBL23870936 0.82 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL26784394 0.82 CA1 (0.35) DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226000-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS Tekni-Plex ,Inc. (US) 2012-09-06 US claimed
WO-2010065809-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-10 WO claimed
WO-2024158051-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK 国立大学法人山形大学 2024-08-02 WO disclosed
US-20120226000-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS Tekni-Plex ,Inc. (US) 2012-09-06 US disclosed
US-20120226000-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS Tekni-Plex ,Inc. (US) 2012-09-06 US disclosed
US-20120226000-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS Tekni-Plex ,Inc. (US) 2012-09-06 US disclosed
WO-2010065809-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-10 WO disclosed
US-7671135-B2 Polar monomer-olefin copolymer and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-20060223944-A1 Polar monomer-olefin copolymer and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-10-05 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 (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-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer CARM1, CPN1, CCNT1 TSHR 4291/4885ALDH1A1 1585/4885CHRNB2 1042/4885

“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.