SCHEMBL6856677

SCHEMBL6856677

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.35
GSK3B P49841 1/20 0.35
TP53 P04637 1/20 0.35
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 5/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 3/20 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
SCHEMBL5208212 0.91 THRB (0.34) TSHRTP53ALDH1A1LMNAKDM4E
SCHEMBL6860887 0.88 MAPT (0.36) CA1CA2GSK3BTGM2KDM4E
SCHEMBL6863277 0.86 THRB (0.41) GAARAB9ATGM2ALDH1A1HTT
SCHEMBL6863500 0.85 MAPT (0.33) RAB9AGSK3BMAPT
SCHEMBL6862965 0.85 GSK3B (0.32) TSHRGSK3BTP53TGM2ALDH1A1
SCHEMBL5208864 0.85 THRB (0.33)
SCHEMBL6856182 0.85 THRB (0.40) CA1CA2GSK3B
SCHEMBL6862800 0.85 SLC6A2 (0.34) ALDH1A1KDM4EMAPT
SCHEMBL6862891 0.84 CA1 (0.33) CA1CA2GAAPOLBRAB9A
SCHEMBL6861759 0.83 MGLL (0.39) RAB9AGSK3BSMN1; SMN2

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 2724/4885GAA 2345/4885

“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.