SCHEMBL6862891

SCHEMBL6862891

C=CC(=O)OCCSCC1CSC(c2ccc(OC)cc2)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
GSK3B P49841 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TGM2 P21980 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL6861913 0.86 GAA (0.34) CA1CA2TSHRSMN1; SMN2GAA
SCHEMBL6856188 0.84 GSK3B (0.34) CA1CA2TSHRSMN1; SMN2GAA
SCHEMBL6856677 0.84 CA1 (0.36) CA1CA2TSHRSMN1; SMN2GAA
SCHEMBL6864166 0.81 GAA (0.36) CA1CA2TSHRSMN1; SMN2GAA
SCHEMBL6860783 0.80 POLB (0.33) GAAPOLBRAB9AMEN1KMT2A
SCHEMBL6863283 0.78 GAA (0.35) TSHRSMN1; SMN2GAAPOLBRAB9A
SCHEMBL6861257 0.78 PTGS1 (0.33) GAAPOLBRAB9AMEN1KMT2A
SCHEMBL6862973 0.76 THRB (0.36) THRB
SCHEMBL1889190 0.76 TSHR (0.42) THRBTSHRSMN1; SMN2TP53HPGD
SCHEMBL6856465 0.75 THRB (0.35) CA1CA2THRBTSHRGSK3B

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-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 EP 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 CA1 1342/4885CA2 2724/4885THRB 3115/4885

“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.