SCHEMBL6484089

SCHEMBL6484089

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nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6496531 1.00 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL4180706 0.84 PGD (0.33) TDP1
SCHEMBL4180699 0.84 PGD (0.33) TDP1
SCHEMBL4455207 0.84 PGD (0.33) TDP1
SCHEMBL4702274 0.82
SCHEMBL9805186 0.82
SCHEMBL21234118 0.82
SCHEMBL25184696 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9622524 0.81
SCHEMBL2386145 0.81 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598393-B2 Structural variants of mycolactones for use in modulating inflammation, immunity and pain INSTITUT PASTEUR (FR) 2017-03-21 US disclosed
US-20140329771-A1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN INSTITUT PASTEUR (FR) 2014-11-06 US disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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 (2 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-20140329771-A1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN IL1B, MYC, IL1A ALDH1A1 2781/4885TDP1 3921/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR ALDH1A1 1851/4885TDP1 2943/4885

“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.