SCHEMBL5014722

SCHEMBL5014722

CC(O)(OO)C(=O)[O-].CC(O)(OO)C(=O)[O-].CC(O)(OO)C(=O)[O-].[Al+3]

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.32
CA1 P00915 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
SCHEMBL6443543 0.94 ALDH1A1 (0.35) ALDH1A1TSHRCA1
Ammonia Solution, Strong SCHEMBL2306787 0.92 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL11489803 0.76 CA4 (0.32) ALDH1A1TSHR
SCHEMBL344581 0.74 CA4 (0.35) CA1
SCHEMBL6859549 0.72 ALDH1A1 (0.41) ALDH1A1TSHRCA1
SCHEMBL27863100 0.71
SCHEMBL11422904 0.71
SCHEMBL5354738 0.70
Ammonia Solution, Strong SCHEMBL15106430 0.69 ALDH1A1 (0.47) ALDH1A1TSHR
Pivalate SCHEMBL4652662 0.68 CA1 (0.43) ALDH1A1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227913-A1 LATEX COMPOSITION COMPRISING A CROSS-LINKING AGENT AND MOLDED PRODUCT THEREOF FOUR ROAD RESEARCH LTD. (JP) 2008-09-18 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-20080227913-A1 LATEX COMPOSITION COMPRISING A CROSS-LINKING AGENT AND MOLDED PRODUCT THEREOF CAD, JMJD6, CARM1 ALDH1A1 983/4885TSHR 4278/4885CA1 618/4885

“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.