SCHEMBL1059336

SCHEMBL1059336

CCCCC(S)C(S)CC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
DNM1 Q05193 2/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 5/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 3/20 0.36
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33
BDKRB2 P30411 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29244736 0.82 DNM1 (0.52) DNM1TSHRCA2LMNAFDPS
SCHEMBL25676849 0.81
SCHEMBL28497518 0.80 DNM1 (0.38) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL29244723 0.79 TSHR (0.50) DNM1TSHRLMNAFDPS
SCHEMBL17495594 0.79 TSHR (0.50) DNM1TSHRLMNAFDPS
SCHEMBL17421926 0.79 TSHR (0.50) DNM1TSHRLMNAFDPS
SCHEMBL3020499 0.79 TSHR (0.50) DNM1TSHRLMNAFDPS
SCHEMBL29244747 0.79 TSHR (0.50) DNM1TSHRLMNAFDPS
SCHEMBL17422009 0.79 TSHR (0.50) DNM1TSHRLMNAFDPS
SCHEMBL2355127 0.79 TSHR (0.50) DNM1TSHRLMNAFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546587-B2 Method for producing acrylate derivative, acrylate derivative, and intermediate thereof KURARAY CO., LTD. (JP) 2013-10-01 US disclosed
US-20130005990-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF KURARAY CO., LTD. (JP) 2013-01-03 US disclosed
US-8314258-B2 Method for producing acrylate derivative, acrylate derivative, and intermediate thereof KURARAY CO., LTD. (JP) 2012-11-20 US disclosed
US-20110009643-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF KURARAY CO., LTD. (JP) 2011-01-13 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 (2 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-20130005990-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF ACR, ADH1A, ALAD ALDH1A1 13/4885TDP1 2750/4885DNM1 4192/4885
US-20110009643-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF ACR, ADH1A, ALAD ALDH1A1 13/4885TDP1 2750/4885DNM1 4192/4885

“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.