SCHEMBL6862849

SCHEMBL6862849

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
RCE1 Q9Y256 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KIF11 P52732 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL6862853 1.00 MTNR1A (0.34) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL6862813 0.87 MTNR1A (0.37) MTNR1AMTNR1BPKMMEN1KMT2A
SCHEMBL6863118 0.84 THRB (0.36) MTNR1AMTNR1BPKMHRH3TSHR
SCHEMBL6863117 0.84 THRB (0.36) MTNR1AMTNR1BPKMHRH3TSHR
SCHEMBL6862856 0.84 PKM (0.33) MTNR1AMTNR1BPKMHRH3MEN1
SCHEMBL6862877 0.82 MTNR1A (0.34) MTNR1AMTNR1BPKMMAPTKIF11
SCHEMBL6862881 0.82 MTNR1A (0.34) MTNR1AMTNR1BPKMMAPTKIF11
SCHEMBL6862292 0.80 MTNR1A (0.32) MTNR1AMTNR1BPKMMAPTNPSR1
SCHEMBL6856688 0.78 KDM1A (0.36) MTNR1AMTNR1BTSHRMAPTKDM4E
SCHEMBL6856685 0.78 KDM1A (0.36) MTNR1AMTNR1BTSHRMAPTKDM4E

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 4452/4885POLB 3241/4885

“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.