SCHEMBL6863266

SCHEMBL6863266

C=C(C)C(=O)OCCCSCC1CSC(c2ccc(Br)cc2)S1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
THRB P10828 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
SCHEMBL6863406 0.84
SCHEMBL6861913 0.83 GAA (0.34) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL6856471 0.82 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL6863263 0.80 ALDH1A1 (0.30) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL6864649 0.77 LMNA (0.32) ALDH1A1
SCHEMBL6863040 0.77 CA1 (0.32) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL5209650 0.75 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL6863402 0.75
SCHEMBL6861883 0.74 CA1 (0.46) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL6863475 0.73

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 TSHR 4411/4885ALDH1A1 132/4885CYP3A4 934/4885

“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.