SCHEMBL1225856

SCHEMBL1225856

COc1cc(C)cc(C)c1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.46
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ ERN1 O75460 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33

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
SCHEMBL9596755 0.82 PDE4A (0.48) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL31289582 0.81 PDE1A (0.42) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL10755095 0.81 ACHE (0.48) ACHEERN1SMN1; SMN2MAPTL3MBTL1
SCHEMBL24169437 0.80 PDE4A (0.38) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL95192 0.79 HRH3 (0.40) ACHEALDH1A1MAPTKDM4E
SCHEMBL510321 0.77 KDM4E (0.47) ACHEERN1SMN1; SMN2ALDH1A1PKM
SCHEMBL31187890 0.77 ACHE (0.48) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL20563298 0.76 TAAR1 (0.50) ACHEKDM4E
SCHEMBL10752271 0.76 ALOX5 (0.44) ACHE
SCHEMBL6921814 0.76 ALDH1A1 (0.45) ACHEERN1SMN1; SMN2ALDH1A1PKM

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
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 — — EP disclosed
US-8367873-B2 Phenyl-substituted bicyclooctane-1,3-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-02-05 — — US disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 — — 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-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives DDT, PIP5K1B, PIP5K1C ACHE 262/4885PDE4A 2084/4885PDE4B 1735/4885

“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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