SCHEMBL5583783

SCHEMBL5583783

COc1ccc(O)c(C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
NNMT P40261 3/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL14458102 0.85 POLB (0.44) TDP1POLBNNMTHTTKDM4E
SCHEMBL5583709 0.83 NPSR1 (0.48) TDP1POLBNNMTHTTLMNA
SCHEMBL19206992 0.83 TDP1 (0.51) TDP1POLBNNMTLMNAKDM4E
SCHEMBL3780312 0.81 TDP1 (0.53) TDP1POLBNNMTHTTLMNA
SCHEMBL29774201 0.81 TDP1 (0.68) TDP1POLBNNMTHTTLMNA
SCHEMBL1279306 0.81 TDP1 (0.53) TDP1POLBNNMTLMNAKDM4E
SCHEMBL7901086 0.81 TDP1 (0.68) TDP1POLBNNMTHTTLMNA
SCHEMBL31133327 0.81 TDP1 (0.53) TDP1POLBNNMTLMNAKDM4E
SCHEMBL14358290 0.79 TDP1 (0.51) TDP1POLBNNMTHTTLMNA
SCHEMBL3864386 0.79 TDP1 (0.51) TDP1POLBNNMTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059656-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE 2024-02-22 US disclosed
CN-116782996-A Tautomeric ligands enable biomimetic C-H hydroxylation under molecular oxygen 斯克里普斯研究学院 2023-09-19 CN disclosed
WO-2022125736-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE (US) 2022-06-16 WO disclosed
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1054011-B1 NOVEL ANTIFUNGAL COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA (JP) 2006-09-13 EP disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed
EP-1054011-A1 NOVEL ANTIFUNGAL COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-11-22 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 (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-20240059656-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN PAH, OGDH, DOHH TDP1 3141/4885POLB 758/4885NNMT 1347/4885

“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.