SCHEMBL12599524

SCHEMBL12599524

CC1(C)C=Cc2c(O)cc(O)c(C(=O)/C=C/c3ccccc3)c2O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ THPO P40225 1/20 0.58
▸ EEF2K O00418 1/20 0.58

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
SCHEMBL30335008 1.00 MAPT (0.58) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL24785845 0.81 KDM4E (0.84) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL31376253 0.77 NFKB1 (0.62) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3129302 0.76 SLC5A1 (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3129298 0.76 SLC5A1 (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL31376180 0.76 NFKB1 (0.68) MAPTKMT2AMEN1KDM4EALDH1A1
Lonchocarpin SCHEMBL29435870 0.75 PTPN1 (0.83) ACHEODC1BCHEPTPN1BACE1
SCHEMBL24728166 0.74 PTPN1 (0.52) MAPTKMT2AMEN1KDM4EALDH1A1
Rottlerin SCHEMBL2524109 0.74 KDM4E (1.00) MAPTKMT2AMEN1KDM4EALDH1A1
Rottlerin SCHEMBL6694400 0.74 KDM4E (1.00) MAPTKMT2AMEN1KDM4EALDH1A1

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 MAPT 763/4885KMT2A 2865/4885MEN1 3087/4885

“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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