SCHEMBL6856679

SCHEMBL6856679

C=C(C)C(=O)SCC1CSC(c2ccc(-c3ccccc3)cc2)S1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
FFAR1 O14842 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 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
SCHEMBL6864643 0.93 HTT (0.34) HTTGABRPGABRDGABRA1GABRB1
SCHEMBL5205053 0.92 GABRP (0.32) HTTGABRPGABRDGABRA1GABRB1
SCHEMBL6864618 0.88 MMP2 (0.39) SMN1; SMN2FFAR1
SCHEMBL6861825 0.87 MAPT (0.34) MAPT
SCHEMBL6861135 0.86 MAPT (0.35) RAB9ANPC1MAPT
SCHEMBL6864649 0.86 LMNA (0.32)
SCHEMBL6856073 0.85 SLC5A1 (0.30)
SCHEMBL5210275 0.84 HTT (0.31) HTT
SCHEMBL6861846 0.84 ACHE (0.34) ACHEHTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL5209239 0.84 HTT (0.34) HTT

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 ACHE 2175/4885RAB9A 3074/4885NPC1 3397/4885

“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.