SCHEMBL7561071

SCHEMBL7561071

C=Cc1cccc(C=S)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
PTGS2 P35354 1/20 0.39
HDAC8 Q9BY41 2/20 0.35
TRPA1 O75762 1/20 0.32
POLB P06746 1/20 0.31
FBP1 P09467 1/20 0.31
NFE2L2 Q16236 1/20 0.31
FDPS P14324 1/20 0.31
FURIN P09958 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
SCHEMBL21881 0.87 TDP1 (0.67) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL4952188 0.87 NFE2L2 (0.38) TP53TDP1ALDH1A1TSHRPOLB
Water SCHEMBL20239051 0.84 TDP1 (0.64) TP53TDP1ALDH1A1TSHRPTGS2
Ammonia Solution, Strong SCHEMBL31335086 0.84 TDP1 (0.64) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL30381592 0.84 TDP1 (0.64) TP53TDP1ALDH1A1TSHRPTGS2
Hydrochloric Acid SCHEMBL29128956 0.81 TDP1 (0.61) TP53TDP1ALDH1A1TSHRPTGS2
Styrene SCHEMBL9639895 0.79 ALDH1A1 (0.78) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL29128955 0.77 TP53 (0.56) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL7220206 0.75
SCHEMBL6521692 0.75 ALDH1A1 (0.54) TDP1ALDH1A1PTGS2

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-8283413-B2 ink-jet ink; improved stability and dispersibility; polymerized hydrophobic acid-functionalized monomer includes 2-(benzyloxycarbonylmethyl)acrylic acid HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-10-09 US disclosed
US-20080182934-A1 Acid-functionalized hydrophobic monomer emulsions, latexes, and associated latexes HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-07-31 US disclosed
US-20020082357-A1 Resin and its use in converting morphine to codeine CORCORAN ROBERT C (US) 2002-06-27 US disclosed
WO-2002028917-A2 RESIN AND ITS USE IN CONVERTING MORPHINE TO CODEINE CORCORAN ROBERT C (US) 2002-04-11 WO 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-20020082357-A1 Resin and its use in converting morphine to codeine OPRM1, OPRK1, OPRL1 TP53 4587/4885TDP1 2605/4885ALDH1A1 1395/4885

“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.