SCHEMBL12599531

SCHEMBL12599531

CC(=O)c1c(O)cc(O)c2c1OC(C)(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTSB P07858 1/20 0.40
▸ CCR5 P51681 1/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ PTPN1 P18031 2/20 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
SCHEMBL27981979 0.85 PDE4D (0.47) HPGDCYP3A4PDE4DNFKB1NFKB2
SCHEMBL10910390 0.82 CTSB (0.46) HPGDCTSBCCR5PDE4DCTSL
SCHEMBL10908300 0.78 PLA2G2A (0.53) MEN1KMT2ACTSBCTSLPTPN1
SCHEMBL12599530 0.78 CTSB (0.58) HPGDMEN1CYP3A4KMT2ACTSB
SCHEMBL12599523 0.73 HPGD (0.38) HPGDMEN1CYP3A4KMT2ALMNA
SCHEMBL969014 0.69 CCR5 (0.43) HPGDCYP3A4CTSBCCR5LMNA
SCHEMBL2484255 0.67 ALOX5 (0.48) HPGDCYP3A4CCR5PDE4DMALT1
SCHEMBL7110948 0.66 MEN1 (0.34) HPGDMEN1CYP3A4KMT2ATHRB
SCHEMBL3246245 0.66 ALDH1A1 (0.49) CTSBPDE4DCTSLMALT1
SCHEMBL31545960 0.66 ALDH1A1 (0.49) CTSBPDE4DCTSLMALT1

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
US-8586768-B2 Design, synthesis and functional characterization of rottlerin analogs IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-11-19 — — US disclosed
US-20110112182-A1 DESIGN, SYNTHESIS AND FUNCTIONAL CHARACTERIZATION OF ROTTLERIN ANALOGS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-05-12 — — US disclosed
US-20110112182-A1 DESIGN, SYNTHESIS AND FUNCTIONAL CHARACTERIZATION OF ROTTLERIN ANALOGS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-05-12 — — 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-20110112182-A1 DESIGN, SYNTHESIS AND FUNCTIONAL CHARACTERIZATION OF ROTTLERIN ANALOGS PRKCH, PRKCB, PRKCA HPGD 1615/4885MEN1 3087/4885CYP3A4 2584/4885

“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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