SCHEMBL3315679

SCHEMBL3315679

COc1cc(C2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
SIRT6 Q8N6T7 1/20 0.46
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL4575216 0.89 TUBB4A (0.56) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL12856149 0.88 ALDH1A1 (0.46) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL20490713 0.83 QDPR (0.60) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL12856225 0.81 ALDH1A1 (0.44) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL20490721 0.80 MAPT (0.51) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL2952098 0.79 LMNA (0.50) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL10206566 0.79 HTR2A (0.58) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL18350624 0.78 SIRT6 (0.57) ALDH1A1LMNAMAPTTUBB4ATUBB
SCHEMBL224959 0.78 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL14183096 0.78 GAA (0.50) ALDH1A1LMNAMAPTTDP1KMT2A

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885LMNA 3341/4885MAPT 2130/4885

“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.