SCHEMBL6474365

SCHEMBL6474365

CCN(CC)CCOC(=O)CCC(C)(C#N)SC(=S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM1 P11229 4/20 0.44
CHRM3 P20309 4/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CDYL Q9Y232 1/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6481271 0.90 ESR1 (0.39) CHRM1KDM4ELMNACYP2D6POLB
SCHEMBL26349411 0.89 TDP1 (0.39) LMNAPOLBSMN1; SMN2
SCHEMBL6481104 0.87 TDP1 (0.33) LMNASMN1; SMN2
SCHEMBL16864405 0.86 TDP1 (0.34) LMNATSHRHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL13508244 0.86 SMN1; SMN2 (0.41) KDM4EMEN1KMT2ACYP4F2CYP4A11
SCHEMBL23133301 0.85 FNTA (0.37) LMNASMN1; SMN2
SCHEMBL12394414 0.85 TDP1 (0.36) KDM4ELMNATSHRMEN1KMT2A
SCHEMBL21251580 0.83 PPARA (0.33)
SCHEMBL20154806 0.82 TDP1 (0.37) POLBALDH1A1
SCHEMBL15497030 0.82 AAK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467966-B1 WATER-SOLUBLE DITHIOESTERS AND METHOD FOR POLYMERIZATION THEREOF LG CHEMICAL LTD (KR) 2012-07-18 EP disclosed
US-6888020-B2 Water-soluble dithioesters and method for polymerization thereof LG CHEM, LTD. (KR) 2005-05-03 US disclosed
EP-1467966-A2 WATER-SOLUBLE DITHIOESTERS AND METHOD FOR POLYMERIZATION THEREOF LG Chem, Ltd. (KR) 2004-10-20 EP disclosed
US-20040138492-A1 Water-soluble dithioesters and method for polymerization thereof LG CHEM, LTD. (KR) 2004-07-15 US disclosed
WO-2003062280-A2 WATER-SOLUBLE DITHIOESTERS AND METHOD FOR POLYMERIZATION THEREOF LG CHEM, LTD. (KR) 2003-07-31 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-20040138492-A1 Water-soluble dithioesters and method for polymerization thereof TST, TTPA, TMT1A CHRM2 4663/4885CHRM1 4656/4885CHRM3 4406/4885

“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.