SCHEMBL6860962

SCHEMBL6860962

C=C(C)C(=O)OCC1CSC(c2ccc(-c3ccccc3)cc2)S1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ACHE P22303 5/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGLL Q99685 1/20 0.31
ELANE P08246 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
SCHEMBL7041104 0.93 ALDH1A1 (0.39) ALDH1A1CA1CA2HTTCYP3A4
SCHEMBL5209650 0.92 ALDH1A1 (0.42) ALDH1A1CA1CA2HTTCYP3A4
SCHEMBL6862967 0.89 MMP2 (0.40) ALDH1A1NPC1RAB9AHTTELANE
SCHEMBL6861810 0.87 CA1 (0.42) ALDH1A1CA1CA2CYP3A4CYP2D6
SCHEMBL6856471 0.86 ALDH1A1 (0.42) ALDH1A1CA1CA2HTTCYP3A4
SCHEMBL6862847 0.86 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ACA1CA2
SCHEMBL6860789 0.85 GAA (0.39) ALDH1A1RAB9ACA1CA2HTT
SCHEMBL5209148 0.84 ALDH1A1 (0.38) ALDH1A1CA1CA2HTTCYP3A4
SCHEMBL6856476 0.84 ALDH1A1 (0.35) ALDH1A1SLC6A4ACHENPC1RAB9A
SCHEMBL5204333 0.84 ALDH1A1 (0.40) ALDH1A1CA1CA2HTTCYP3A4

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 132/4885SLC6A2 4808/4885SLC6A4 4613/4885

“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.