SCHEMBL18593352

SCHEMBL18593352

CC(C)(C)c1cc(C(C)(C)C)c2oc(CCCCCO)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL18593350 0.89 LMNA (0.36) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL29819607 0.88 HSD17B10 (0.39) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL28625969 0.88 HSD17B10 (0.39) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL18593349 0.83 LMNA (0.38) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL18593347 0.82 ELANE (0.37) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL18593346 0.80 MTNR1A (0.42) LMNATP53MAPTTDP1RXRA
SCHEMBL27996361 0.79 LMNA (0.38) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL18593348 0.77 LMNA (0.38) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL29460442 0.77 LMNA (0.38) LMNATP53MAPTTDP1HSP90AA1
SCHEMBL18593345 0.76 MAPT (0.45) LMNATP53MAPTRXRARXRB

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-9856208-B2 Method for producing an arene with an aromatic C—N bond ortho to an aromatic C—O bond THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-01-02 — — US disclosed
US-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-03-09 — — 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-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND AOX1, NOX4, NOXO1 LMNA 1484/4885TP53 1454/4885MAPT 2083/4885

“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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