SCHEMBL6863128

SCHEMBL6863128

C=CC(=O)SCCCC1CSC(c2cccc3ccccc23)S1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
PLA2G6 O60733 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TGM2 P21980 1/20 0.30
ACHE P22303 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
PKM P14618 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
SCHEMBL6863126 1.00 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL6862884 0.88 MTNR1A (0.32) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL6863462 0.87 PLA2G6 (0.33) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL6862877 0.84 MTNR1A (0.34) MTNR1AMTNR1BPKM
SCHEMBL6862881 0.84 MTNR1A (0.34) MTNR1AMTNR1BPKM
SCHEMBL6863118 0.81 THRB (0.36) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL6863117 0.81 THRB (0.36) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL6865081 0.79 PLA2G6 (0.30) PLA2G6MTNR1AMTNR1B
SCHEMBL6865076 0.79 PLA2G6 (0.30) PLA2G6MTNR1AMTNR1B
SCHEMBL6856688 0.78 KDM1A (0.36) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A

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 5 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
CN-1346829-A Acrylate compounds and use MITSUI CHEMICALS INC (JP) 2002-05-01 CN 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 CYP1A2 872/4885CYP2D6 2616/4885CYP2C9 1388/4885

“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.