SCHEMBL6863117

SCHEMBL6863117

C=CC(=O)OCCCC1CS[C@H](c2cccc3ccccc23)S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
PLA2G6 O60733 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 1/20 0.31
TGM2 P21980 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
ACHE P22303 1/20 0.30
DRD3 P35462 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
SCHEMBL6863118 1.00 THRB (0.36) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL6862856 0.89 PKM (0.33) PKMHRH3MTNR1AMTNR1B
SCHEMBL6862987 0.87 PKM (0.34) THRBALDH1A1CYP3A4HPGDPKM
SCHEMBL6862849 0.84 MTNR1A (0.34) TSHRALDH1A1HPGDPKMHRH3
SCHEMBL6862853 0.84 MTNR1A (0.34) TSHRALDH1A1HPGDPKMHRH3
SCHEMBL6863126 0.81 CYP1A2 (0.32) PKMPLA2G6MTNR1AMTNR1BTGM2
SCHEMBL6863128 0.81 CYP1A2 (0.32) PKMPLA2G6MTNR1AMTNR1BTGM2
SCHEMBL6899383 0.79 PKM (0.31) PKMPLA2G6
SCHEMBL6862089 0.79 PKM (0.31) PKMPLA2G6
SCHEMBL6856688 0.78 KDM1A (0.36) TSHRALDH1A1HPGDMTNR1AMTNR1B

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 THRB 3115/4885TSHR 4411/4885ALDH1A1 132/4885

“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.