SCHEMBL6863277

SCHEMBL6863277

C=CC(=O)OCC1CSC(c2ccc(Oc3ccccc3)cc2)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
MMP9 P14780 7/20 0.41
MMP2 P08253 6/20 0.41
MMP14 P50281 6/20 0.41
MMP3 P08254 3/20 0.41
MMP7 P09237 3/20 0.41
MMP8 P22894 3/20 0.41
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
TGM2 P21980 1/20 0.38
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNH2 Q12809 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6856182 0.91 THRB (0.40) THRBTEAD1TEAD3
SCHEMBL5208212 0.89 THRB (0.34) THRBALDH1A1LMNA
SCHEMBL6861759 0.88 MGLL (0.39) THRBRAB9ASMN1; SMN2FFAR1
SCHEMBL6856677 0.86 CA1 (0.36) TGM2GAARAB9ASMN1; SMN2HTT
SCHEMBL6860926 0.84 THRB (0.36) THRBSMN1; SMN2ALDH1A1MAPT
SCHEMBL6862965 0.83 GSK3B (0.32) THRBTGM2ALDH1A1MAPTLMNA
SCHEMBL6860887 0.83 MAPT (0.36) THRBTGM2MAPT
SCHEMBL6863500 0.83 MAPT (0.33) THRBRAB9AMAPTTEAD1
SCHEMBL5208864 0.83 THRB (0.33) THRB
SCHEMBL6862967 0.83 MMP2 (0.40) MMP9MMP2MMP14MMP3MMP7

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 THRB 3115/4885MMP9 4472/4885MMP2 4270/4885

“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.