SCHEMBL13020406

SCHEMBL13020406

C#CCOc1ccc(C(C)(C)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ GSTP1 P09211 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ MAOA P21397 5/20 0.42
▸ MAOB P27338 5/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8161375 0.91 CA12 (0.49) CA12CA1CA4CA9GSTP1
SCHEMBL15803992 0.86 CA12 (0.45) CA12CA1CA4CA9GSTP1
SCHEMBL14962795 0.85 MAOA (0.46) CA12CA1CA4CA9GSTP1
SCHEMBL8507007 0.85 SMN1; SMN2 (0.57) CA12CA1CA4CA9GSTP1
SCHEMBL12516724 0.83 ESR1 (0.53) CA12CA1CA4CA9GSTP1
SCHEMBL18974742 0.82 SMN1; SMN2 (0.46) CA12CA1CA4CA9GSTP1
SCHEMBL22182453 0.82 ESR1 (0.47) CA12CA1CA4CA9GSTP1
SCHEMBL14962823 0.81 SMN1; SMN2 (0.45) CA12CA1CA4CA9GSTP1
SCHEMBL4278557 0.80 CA12 (0.49) CA12CA1CA4CA9GSTP1
SCHEMBL5104116 0.80 SMN1; SMN2 (0.50) CA12CA1CA4CA9GSTP1

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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 CA12 2325/4885CA1 1474/4885CA4 2271/4885

“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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