SCHEMBL13720661

SCHEMBL13720661

CC1(C)C2CC3OB(c4ccccc4)OC3(C)C1C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 8/20 0.48
▸ PSMB5 P28074 6/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ CXCR2 P25025 1/20 0.41
▸ F2 P00734 4/20 0.39
▸ PRSS1 P07477 2/20 0.39

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
SCHEMBL12721154 1.00 PREP (0.48) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL18589064 0.85 PREP (0.41) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL15891771 0.79 CXCR2 (0.53) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL5899514 0.78 CXCR2 (0.42) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL5899540 0.78 CXCR2 (0.42) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL15890142 0.77 CXCR2 (0.49) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL15780083 0.77 CXCR2 (0.51) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL23662476 0.77 PSMB5 (0.46) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL6237447 0.77 PREP (0.53) PREPPSMB5PSEN1PSEN2APH1B
SCHEMBL6237454 0.77 PREP (0.53) PREPPSMB5PSEN1PSEN2APH1B

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
WO-2012155042-A2 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 — — WO disclosed
US-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 — — 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-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS BRS3, BRSK1, CA4 PREP 4254/4885PSMB5 4732/4885PSEN1 4727/4885

“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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