SCHEMBL70139

SCHEMBL70139

COC(=O)c1cc(C)c(C(=O)OC)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
ACHE P22303 1/20 0.57
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA12 O43570 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.54
XDH P47989 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
NFKB1 P19838 1/20 0.54
GFER P55789 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
FUT7 Q11130 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL7232930 0.87 CA12 (0.52) CYP3A4ACHECA1CA2CA12
SCHEMBL13199187 0.87 CA12 (0.52) CYP3A4ACHECA1CA2CA12
SCHEMBL7232517 0.87 CYP3A4 (0.53) CYP3A4ACHECA1CA2CA12
SCHEMBL11519523 0.86 CYP3A4 (0.50) CYP3A4ACHECA1CA2CA12
SCHEMBL2897762 0.86 KDM4E (0.51) CYP3A4ACHECA1CA2CA12
SCHEMBL2605591 0.86 CA1 (0.60) CYP3A4ACHECA1CA2CA12
SCHEMBL10832764 0.84 CA1 (0.58) CYP3A4ACHECA1CA2CA12
SCHEMBL1036031 0.84 CYP3A4 (0.59) CYP3A4ACHECA1CA2CA12
SCHEMBL197898 0.82 CYP3A4 (0.81) CYP3A4ACHECA1CA2CA12
SCHEMBL198717 0.82 KDM4E (0.65) CYP3A4ACHECA1CA2CA12

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 WO disclosed
US-4128556-A COMPLEXING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1978-12-05 US disclosed
US-4080337-A Multioxymacrocycle compounds containing pyridyl rings as part of the macrocycle THE UPJOHN COMPANY (US) 1978-03-21 US disclosed
US-3965116-A COMPLEXING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-06-22 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 (3 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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH CYP3A4 410/4885ACHE 4866/4885CA1 1759/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CYP3A4 2028/4885ACHE 4447/4885CA1 550/4885
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 CYP3A4 2766/4885ACHE 4054/4885CA1 5/4885

“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.