SCHEMBL2575554

SCHEMBL2575554

COC(=O)c1coc(C2CCN(C(=O)Cc3cc(C)ccc3C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
FLT3 P36888 1/20 0.39
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL2581638 0.89 MAPT (0.40) IRAK4MAPTPOLBHTTTP53
SCHEMBL2583858 0.78 MAPT (0.36) IRAK4MAPTPOLBTP53LMNA
SCHEMBL2584884 0.76 ALDH1A1 (0.39) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL2586245 0.74 ALDH1A1 (0.69) ALDH1A1MAPTPOLBHTTRAB9A
SCHEMBL2562744 0.73 DAGLA (0.39) IRAK4FLT3POLBLMNANPSR1
SCHEMBL2578340 0.73 ALDH1A1 (0.44) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL3436251 0.72 CHRM2 (0.37) IRAK4FLT3POLBLMNA
SCHEMBL3436252 0.72 CHRM2 (0.37) IRAK4FLT3POLBLMNA
SCHEMBL2079741 0.72 CHRM2 (0.37) IRAK4FLT3POLBLMNA
SCHEMBL1228591 0.72 FAAH (0.42) ALDH1A1MAPTHTTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 ALDH1A1 649/4885IRAK4 2004/4885FLT3 1745/4885

“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.