SCHEMBL6856465

SCHEMBL6856465

C=CC(=O)OCCC1CSC(c2ccc(C)cc2)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 5/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL6860887 0.88 MAPT (0.36) THRBMAPTKDM4EGABRPGABRD
SCHEMBL6861883 0.83 CA1 (0.46) THRBMAPTTSHRKDM4EALDH1A1
SCHEMBL5208212 0.81 THRB (0.34) THRBTSHRKDM4EALDH1A1TP53
SCHEMBL6863634 0.79 GSK3B (0.33) MAPTKDM4EGSK3B
SCHEMBL6856677 0.76 CA1 (0.36) MAPTTSHRHPGDKDM4EALDH1A1
SCHEMBL6862965 0.76 GSK3B (0.32) THRBMAPTTSHRALDH1A1TP53
SCHEMBL6863500 0.76 MAPT (0.33) THRBMAPTGSK3B
SCHEMBL6862091 0.76 MAPT (0.34) MAPTKDM4EGSK3B
SCHEMBL6862800 0.75 SLC6A2 (0.34) MAPTKDM4EALDH1A1
SCHEMBL6856182 0.75 THRB (0.40) THRBCA1CA2GSK3B

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 3115/4885MAPT 3869/4885TSHR 4411/4885

“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.