SCHEMBL6863462

SCHEMBL6863462

C=CC(=O)SCC1CSC(c2cccc3ccccc23)S1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G6 O60733 3/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
EPHX1 P07099 1/20 0.32
CASP1 P29466 1/20 0.31
WDR5 P61964 1/20 0.31
KDM1A O60341 1/20 0.31
MAPK1 P28482 2/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL5206767 0.89 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL5205971 0.87 KDM4E (0.35) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6863126 0.87 CYP1A2 (0.32) PLA2G6MTNR1AMTNR1BCYP1A2CYP2C19
SCHEMBL6863128 0.87 CYP1A2 (0.32) PLA2G6MTNR1AMTNR1BCYP1A2CYP2C19
SCHEMBL5206449 0.86 CYP1A2 (0.33) CYP1A2ALDH1A1LMNAMAPT
SCHEMBL6862972 0.84 BRD4 (0.32) ACHE
SCHEMBL6863193 0.83 MTNR1A (0.37) MTNR1AMTNR1BCYP1A2CYP2C19CYP2D6
SCHEMBL6865081 0.83 PLA2G6 (0.30) PLA2G6MTNR1AMTNR1B
SCHEMBL6865076 0.83 PLA2G6 (0.30) PLA2G6MTNR1AMTNR1B
SCHEMBL5209563 0.83 LMNA (0.31) LMNA

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 PLA2G6 3147/4885MTNR1A 4185/4885MTNR1B 4452/4885

“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.