SCHEMBL13811695

SCHEMBL13811695

CC1(C)CCC[C@@]2(C)c3ccc(O)cc3C(=O)C(=O)[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.39
▸ SOD1 P00441 1/20 0.38
▸ OPRM1 P35372 4/20 0.37
▸ ENTPD5 O75356 1/20 0.37
▸ NR1H2 P55055 4/20 0.37
▸ NR1H3 Q13133 4/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CG P48736 2/20 0.35

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
SCHEMBL15223566 1.00 EP300 (0.39) EP300SOD1OPRM1ENTPD5NR1H2
SCHEMBL16499573 0.85 OPRM1 (0.45) OPRM1ENTPD5NR1H2NR1H3OPRK1
Hypargenin C SCHEMBL18290364 0.80 SOD1 (0.55) EP300SOD1HSP90AA1KDM4EMEN1
Hypargenin C SCHEMBL31083234 0.80 SOD1 (0.55) EP300SOD1HSP90AA1KDM4EMEN1
Hypargenin C SCHEMBL13532268 0.80 SOD1 (0.55) EP300SOD1HSP90AA1KDM4EMEN1
SCHEMBL13811702 0.76 SOD1 (0.46) EP300SOD1OPRM1ENTPD5NR1H2
SCHEMBL12825588 0.75 ACHE (0.44) EP300SOD1HSP90AA1KDM4EMEN1
SCHEMBL16499584 0.74 ACHE (0.35) EP300SOD1HSP90AA1KDM4EMEN1
SCHEMBL12821396 0.74 ACHE (0.35) EP300SOD1HSP90AA1KDM4EMEN1
SCHEMBL15223565 0.74 SMN1; SMN2 (0.39) NR1H2NR1H3MEN1MAPTKMT2A

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-20090149551-A1 OXIDIZED cis-TERPENONE AND ITS USE AS A CHEMOPROTECTIVE AND ANTI-MALARIAL AGENT VIRGINIA COMMONWEALTH UNIVERSITY 2009-06-11 — — 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-20090149551-A1 OXIDIZED cis-TERPENONE AND ITS USE AS A CHEMOPROTECTIVE AND ANTI-MALARIAL AGENT CYP8B1, FNTB, TOP2B EP300 2938/4885SOD1 1355/4885OPRM1 2151/4885

“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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