SCHEMBL3514601

SCHEMBL3514601

CCN(CC)CCCOc1cc[c]cc1OC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ACHE P22303 11/20 0.43
BIRC5 O15392 1/20 0.42
BCHE P06276 9/20 0.41
CHRM2 P08172 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
SCHEMBL3512477 0.92 ALDH1A1 (0.51) ALDH1A1KDM4EACHEBIRC5BCHE
SCHEMBL188299 0.84 HTR7 (0.44) ALDH1A1KDM4EACHEBCHE
SCHEMBL7180376 0.82 CYP1A2 (0.41) ALDH1A1TDP1
SCHEMBL27852671 0.82 KDM4E (0.50) ALDH1A1KDM4ETDP1BIRC5
SCHEMBL8348135 0.81 L3MBTL1 (0.38) ALDH1A1TDP1
SCHEMBL542448 0.80 KDM4E (0.40) ALDH1A1KDM4ETDP1
SCHEMBL6200785 0.80 ALDH1A1 (0.43) ALDH1A1TDP1CHRM2
SCHEMBL11717070 0.80 ALDH1A1 (0.43) ALDH1A1TDP1CHRM2
SCHEMBL7347065 0.80 L3MBTL1 (0.40) ALDH1A1TDP1
SCHEMBL2479633 0.80 HTR7 (0.53) ALDH1A1KDM4EACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB ALDH1A1 1154/4885KDM4E 898/4885TDP1 1603/4885

“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.