SCHEMBL6862987

SCHEMBL6862987

C=CC(=O)OCC1CSC(c2cccc3ccccc23)S1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
THRB P10828 1/20 0.33
PLA2G6 O60733 3/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ACHE P22303 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RCE1 Q9Y256 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL5209268 0.89 THRB (0.38) THRBHIF1AKMT2AALDH1A1LMNA
SCHEMBL5210291 0.87 THRB (0.38) PKMTHRBMEN1KMT2AMAPK1
SCHEMBL6863118 0.87 THRB (0.36) PKMTHRBPLA2G6MTNR1AMTNR1B
SCHEMBL6863117 0.87 THRB (0.36) PKMTHRBPLA2G6MTNR1AMTNR1B
SCHEMBL5208290 0.86 THRB (0.36) THRBCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL5209896 0.84 THRB (0.35) THRBMEN1KMT2ALMNAMAPT
SCHEMBL6862813 0.83 MTNR1A (0.37) PKMMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL6862089 0.82 PKM (0.31) PKMPLA2G6
SCHEMBL6899383 0.82 PKM (0.31) PKMPLA2G6
SCHEMBL6856182 0.81 THRB (0.40) THRB

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 PKM 2511/4885THRB 3115/4885PLA2G6 3147/4885

“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.