SCHEMBL11979660

SCHEMBL11979660

C=C(C)c1cc(CCC(=O)OC)cc(C(=C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
PTPN1 P18031 2/20 0.35
OR51E2 Q9H255 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
PDE4D Q08499 1/20 0.34

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
SCHEMBL2821328 0.87 GAA (0.53) GAATSHRKMT2AMAPTALDH1A1
SCHEMBL13266120 0.84 CYP4F2 (0.50) ALOX5GAAALDH1A1HSD17B10
SCHEMBL13201688 0.81 FFAR1 (0.44) ALOX5
SCHEMBL1746736 0.80 PCNA (0.44) ALOX5SIRT2HSP90AB1NFKB1NFKB2
SCHEMBL172340 0.79 KDM4E (0.43) ALOX5SIRT2TSHRKMT2AMAPT
SCHEMBL31432825 0.79 ALOX5 (0.47) ALOX5SIRT2KMT2APTPN1OR51E2
SCHEMBL5992538 0.76 PTGS1 (0.44) ALOX5SIRT2HSP90AB1NFKB1NFKB2
SCHEMBL11978546 0.76 GAA (0.60) NFKB1GAATSHRKMT2AMAPT
SCHEMBL12294539 0.76 GAA (0.47) ALOX5NFKB1GAATSHRKMT2A
SCHEMBL14191732 0.76 GAA (0.47) ALOX5NFKB1GAATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236390-B2 Liquid-crystalline medium MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US disclosed
US-20100320420-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-23 US disclosed
US-7854970-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-21 US disclosed
US-20100188630-A1 ELECTRO-OPTICAL LIGHT CONTROL ELEMENT, ELECTRO-OPTICAL DISPLAY AND CONTROL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-29 US disclosed
US-7678432-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-03-16 US disclosed
US-20100051864-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2010-03-04 US disclosed
US-20080088789-A1 Liquid-crystalline medium MERCK PATENT GMBH 2008-04-17 US disclosed
US-20070017151-A1 Nucleophilic Acyl Substitutions of Acids or Esters Catalyzed by Oxometallic Complexes, and the Applications in Fabricating Biodiesel NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2007-01-25 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 (2 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-20070017151-A1 Nucleophilic Acyl Substitutions of Acids or Esters Catalyzed by Oxometallic Complexes, and the Applications in Fabricating Biodiesel COASY, ACSL1, ACSL3 ALOX5 341/4885SIRT2 1739/4885HSP90AB1 3472/4885
US-20080088789-A1 Liquid-crystalline medium F12, CHRM1, NEFM ALOX5 3635/4885SIRT2 3850/4885HSP90AB1 2308/4885

“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.