SCHEMBL6863040

SCHEMBL6863040

C=C(C)C(=O)OCSCC1CSC(c2ccccc2)S1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HTT P42858 2/20 0.31
ELANE P08246 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BRD4 O60885 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 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
SCHEMBL7041104 0.84 ALDH1A1 (0.39) CA1CA2HTTELANEALDH1A1
SCHEMBL6862973 0.83 THRB (0.36)
SCHEMBL6865109 0.81 HTT (0.32) HTT
SCHEMBL6864643 0.80 HTT (0.34) HTTPOLB
SCHEMBL6860962 0.78 ALDH1A1 (0.36) CA1CA2HTTELANEALDH1A1
SCHEMBL5209650 0.78 ALDH1A1 (0.42) CA1CA2HTTALDH1A1TDP1
SCHEMBL6861913 0.78 GAA (0.34) CA1CA2HTTALDH1A1TDP1
SCHEMBL6863266 0.77 TSHR (0.34) CA1CA2HTTALDH1A1TDP1
SCHEMBL6862967 0.76 MMP2 (0.40) HTTELANEALDH1A1TDP1HPGD
SCHEMBL5209148 0.76 ALDH1A1 (0.38) CA1CA2HTTALDH1A1TSHR

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 2724/4885HTT 4229/4885

“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.