SCHEMBL6861810

SCHEMBL6861810

C=C(C)C(=O)OCC1CSC(c2ccc(C)cc2)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL5209650 0.95 ALDH1A1 (0.42) CA1CA2ALDH1A1GABRPGABRD
SCHEMBL6856471 0.89 ALDH1A1 (0.42) CA1CA2ALDH1A1MAPTGABRP
SCHEMBL6862847 0.89 ALDH1A1 (0.38) CA1CA2ALDH1A1MAPTGABRP
SCHEMBL7041104 0.89 ALDH1A1 (0.39) CA1CA2ALDH1A1MAPTCYP3A4
SCHEMBL6861883 0.88 CA1 (0.46) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL6860789 0.88 GAA (0.39) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL6860962 0.87 ALDH1A1 (0.36) CA1CA2ALDH1A1MAPTCYP3A4
SCHEMBL6861219 0.87 ALDH1A1 (0.36) CA1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL5209184 0.86 ALDH1A1 (0.38) CA1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL5209148 0.85 ALDH1A1 (0.38) CA1CA2ALDH1A1CYP3A4CYP2D6

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 CA1 1342/4885CA2 2724/4885ALDH1A1 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.