SCHEMBL6862884

SCHEMBL6862884

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
PKM P14618 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
SCHEMBL6863128 0.88 CYP1A2 (0.32) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9
SCHEMBL6863126 0.88 CYP1A2 (0.32) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9
SCHEMBL6862881 0.83 MTNR1A (0.34) MTNR1AMTNR1BPKM
SCHEMBL6862877 0.83 MTNR1A (0.34) MTNR1AMTNR1BPKM
SCHEMBL6862856 0.83 PKM (0.33) MTNR1AMTNR1BPKM
SCHEMBL6856685 0.77 KDM1A (0.36) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9
SCHEMBL6856688 0.77 KDM1A (0.36) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9
SCHEMBL6863462 0.75 PLA2G6 (0.33) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9
SCHEMBL6856078 0.74 SLC6A4 (0.36) MTNR1ACYP2C9CYP2C19
SCHEMBL6863117 0.73 THRB (0.36) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9

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 MTNR1A 4185/4885MTNR1B 4452/4885CYP1A2 872/4885

“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.