SCHEMBL4029374

SCHEMBL4029374

CCOC(=O)CSCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 8/20 0.44
TRPA1 O75762 1/20 0.44
HSD17B10 Q99714 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CES2 O00748 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL8544332 0.91 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27081029 0.82 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5963274 0.82 CYP2D6 (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1359006 0.81
SCHEMBL20841661 0.81 MGAM (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8503864 0.81 TSHR (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10749891 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7527314 0.79 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1927747 0.79
SCHEMBL17193285 0.78 CES2 (0.44) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687301-B1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ INST FUER PFLANZENBIOC (DE) 2009-05-13 EP claimed
US-8461355-B2 Preparation method of 3,4-ethylenedioxythiophene FAR EASTERN NEW CENTURY CORPORATION (TW) 2013-06-11 US disclosed
US-20130023673-A1 Preparation Method of 3,4-Ethylenedioxythiophene FAR EASTERN NEW CENTURY CORPORATION (TW) 2013-01-24 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-20130023673-A1 Preparation Method of 3,4-Ethylenedioxythiophene DNTT, CCNT1, NUDT1 GAA 4145/4885MGAM 1751/4885SI 1601/4885

“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.