SCHEMBL6862900

SCHEMBL6862900

C=C(C)C(=O)OC(C)CSCC1CSC(c2cccs2)S1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
ADORA2B P29275 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX12 P18054 1/20 0.32
BRD4 O60885 2/20 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
SCHEMBL6861128 0.87 ALDH1A1 (0.33) ALDH1A1ADORA2BMEN1MAPTKMT2A
SCHEMBL6863456 0.83 BRD4 (0.31) ALDH1A1ADORA2BMEN1MAPTKMT2A
SCHEMBL6863263 0.81 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL6861141 0.80
SCHEMBL6863255 0.78 ALDH1A1 (0.31) ALDH1A1ADORA2BMEN1MAPTKMT2A
SCHEMBL6862869 0.78 KDM4E (0.30) TSHR
SCHEMBL6860889 0.72 GSK3B (0.33) ALDH1A1ADORA2BMEN1MAPTKMT2A
SCHEMBL7630406 0.67 SLC6A2 (0.31)
SCHEMBL6862785 0.67 KDM4E (0.34) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL6863402 0.64

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 ALDH1A1 132/4885ADORA2B 1838/4885MEN1 2503/4885

“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.