SCHEMBL5879461

SCHEMBL5879461

COc1ccc(C(C)C)c(CCCO)c1CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
LPAR1 Q92633 2/20 0.36
THRB P10828 1/20 0.36
RORC P51449 1/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
GFER P55789 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
SCHEMBL12985738 0.87 AOC3 (0.39) CA1CA2CA7CA9TNKS2
SCHEMBL8986937 0.75 TNKS2 (0.43) CA2TNKS2POLBKDM4E
SCHEMBL8366004 0.74 TNKS2 (0.46) CA1CA2CA7CA9TNKS2
SCHEMBL14999449 0.73 CA1 (0.41) CA1CA2CA7CA9GABRA1
SCHEMBL28117852 0.71 TNKS2 (0.40) CA1CA2CA7CA9TNKS2
SCHEMBL6951083 0.71 ALOX5 (0.48)
SCHEMBL12985737 0.71 MEN1 (0.38) CA1CA2CA7CA9LPAR1
SCHEMBL9047919 0.69 GABRA1 (0.42) GABRA1GABRG2GABRB3LPAR1MEN1
SCHEMBL24089462 0.68 ALOX5 (0.46) KDM4E
SCHEMBL29743344 0.67 SLC6A4 (0.51) POLBMEN1KMT2A

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
US-7141684-B2 Diepoxide derivatives of diallyl phenolics PEWS R GARTH 2006-11-28 US disclosed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 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-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics EBP, EED, ESR2 CA1 3815/4885CA2 3977/4885CA7 2703/4885

“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.