SCHEMBL3079892

SCHEMBL3079892

[CH2]C(CC)(CC)c1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
ACHE P22303 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MAOB P27338 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ENPP2 Q13822 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRM5 P08912 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
SCHEMBL8210845 0.82 KIF11 (0.49) KIF11ACHETAAR1CA1CA2
SCHEMBL13930875 0.79 KIF11 (0.46) KIF11ACHETAAR1CA1CA2
SCHEMBL20097903 0.79 ACHE (0.50) KIF11ACHETAAR1CA1CA2
SCHEMBL3435840 0.79 KIF11 (0.46) KIF11ACHETAAR1CA1CA2
SCHEMBL7125526 0.78 KIF11 (0.45) KIF11ACHETAAR1CA1CA2
SCHEMBL9079230 0.77 KIF11 (0.42) KIF11ACHETAAR1CA1CA2
SCHEMBL6205404 0.77 KIF11 (0.47) KIF11ACHETAAR1CA1CA2
SCHEMBL13815894 0.76 KIF11 (0.44) KIF11ACHECA1CA2CA7
SCHEMBL10064795 0.76 KIF11 (0.44) KIF11ACHETAAR1CA1CA2
SCHEMBL18574318 0.76 KIF11 (0.44) KIF11ACHETAAR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 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-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 KIF11 4120/4885ACHE 868/4885TAAR1 2890/4885

“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.