SCHEMBL5873253

SCHEMBL5873253

C=CC(=O)OS(=O)(=O)CC=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 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
SCHEMBL11667235 0.84 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1644327 0.83 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5873271 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5873249 0.77 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL151093 0.77 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL149403 0.76 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL27960210 0.76 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5873255 0.74 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2210406 0.72 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2724146 0.72 LMNA (0.36) TSHRALDH1A1TP53HIF1ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7025816-B2 Anthraquinone dye and inkjet recording liquid KONICA MINOLTA HOLDINGS, INC. (JP) 2006-04-11 US disclosed
US-20050103226-A1 Anthraquinone dye and inkjet recording liquid KONICA MINOLTA HOLDINGS, INC. (JP) 2005-05-19 US 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-20050103226-A1 Anthraquinone dye and inkjet recording liquid MLLT3, GNPAT, IK TSHR 4871/4885ALDH1A1 154/4885TP53 857/4885

“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.