SCHEMBL3782845

SCHEMBL3782845

C=C(C)C(=O)OCC(=O)OC1CSCCCS1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL13015990 0.97 ALDH1A1 (0.35) ALDH1A1TSHRTHRB
SCHEMBL3781915 0.92 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL13015960 0.87 THRB (0.35) ALDH1A1TSHRTHRB
SCHEMBL13016009 0.84 THRB (0.35) ALDH1A1TSHRTHRB
SCHEMBL775602 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14354222 0.80
SCHEMBL13015934 0.80 TSHR (0.31) ALDH1A1TSHR
SCHEMBL13015937 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL13015838 0.78 THRB (0.36) ALDH1A1TSHRTHRB
SCHEMBL13015994 0.78 ALDH1A1 (0.38) ALDH1A1TSHR

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
US-8492562-B2 (Meth)acrylate derivative, intermediate thereof, and polymer compound KURARAY CO., LTD. (JP) 2013-07-23 US disclosed
US-8492562-B2 (Meth)acrylate derivative, intermediate thereof, and polymer compound KURARAY CO., LTD. (JP) 2013-07-23 US disclosed
US-8492562-B2 (Meth)acrylate derivative, intermediate thereof, and polymer compound KURARAY CO., LTD. (JP) 2013-07-23 US disclosed
US-20100331508-A1 (METH)ACRYLATE DERIVATIVE, INTERMEDIATE THEREOF, AND POLYMER COMPOUND KURARAY CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331508-A1 (METH)ACRYLATE DERIVATIVE, INTERMEDIATE THEREOF, AND POLYMER COMPOUND KURARAY CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331508-A1 (METH)ACRYLATE DERIVATIVE, INTERMEDIATE THEREOF, AND POLYMER COMPOUND KURARAY CO., LTD. (JP) 2010-12-30 US disclosed
WO-2009104726-A1 (METH)ACRYLATE DERIVATIVE, INTERMEDIATE THEREOF, AND POLYMER COMPOUND 株式会社クラレ (JP) 2009-08-27 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 (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-20100331508-A1 (METH)ACRYLATE DERIVATIVE, INTERMEDIATE THEREOF, AND POLYMER COMPOUND MTR, WDR1, WDR3 ALDH1A1 3546/4885TSHR 950/4885THRB 2785/4885

“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.