SCHEMBL17826832

SCHEMBL17826832

N=[N+]=Nc1ccc(/C=C/c2cc(O)cc(O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ PTGS2 P35354 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ CYP1A2 P05177 3/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HIF1A Q16665 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ TTR P02766 3/20 0.57
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57

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
SCHEMBL18137344 0.87 NQO2 (0.48) PTGS1KDM4ELMNAPTGS2MEN1
SCHEMBL17826850 0.82 PTGS1 (0.57) PTGS1KDM4ELMNAPTGS2MEN1
SCHEMBL18130124 0.82 PTGS1 (0.57) PTGS1KDM4ELMNAPTGS2MEN1
Resveratrol SCHEMBL3704258 0.74 PTGS1 (1.00) PTGS1KDM4ELMNAPTGS2MEN1
Resveratrol SCHEMBL19425 0.74 PTGS1 (1.00) PTGS1KDM4ELMNAPTGS2MEN1
Resveratrol SCHEMBL17629801 0.74 PTGS1 (1.00) PTGS1KDM4ELMNAPTGS2MEN1
Resveratrol SCHEMBL19426 0.74 PTGS1 (1.00) PTGS1KDM4ELMNAPTGS2MEN1
Resveratrol SCHEMBL20164915 0.74 PTGS1 (1.00) PTGS1KDM4ELMNAPTGS2MEN1
Cis-Resveratrol SCHEMBL1931746 0.74 PTGS1 (1.00) PTGS1KDM4ELMNAPTGS2MEN1
Resveratrol SCHEMBL2300985 0.74 PTGS1 (1.00) PTGS1KDM4ELMNAPTGS2MEN1

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
EP-3031461-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS The President and Fellows of Harvard College (US) 2016-06-15 — — EP disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 — — 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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 PTGS1 4289/4885KDM4E 640/4885LMNA 1010/4885

“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.

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