SCHEMBL3080818

SCHEMBL3080818

C=C/C=C/C=C\CC(=O)CCC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FASN P49327 1/20 0.32
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL13021369 1.00 CES2 (0.32) CES2CES1FASNFFAR3HDAC3
SCHEMBL17940494 1.00 CES2 (0.32) CES2CES1FASNFFAR3HDAC3
SCHEMBL2833573 1.00 CES2 (0.32) CES2CES1FASNFFAR3HDAC3
SCHEMBL2833574 1.00 CES2 (0.32) CES2CES1FASNFFAR3HDAC3
SCHEMBL17940485 1.00 CES2 (0.32) CES2CES1FASNFFAR3HDAC3
SCHEMBL29927213 0.92 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL29455077 0.92 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL671371 0.92 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL4729241 0.83 TDP1 (0.38) TSHR
SCHEMBL4729239 0.83 TDP1 (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160213047-A1 CARBONATE STIMULATION ENHANCER T. HASEGAWA CO., LTD. (JP) 2016-07-28 US disclosed
US-7795474-B2 6,8,10-undecatrien-3-one or 6,8,10-undecatrien-4-one, and aroma compositions T. HASEGAWA CO., LTD. (JP) 2010-09-14 US disclosed
US-7795474-B2 6,8,10-undecatrien-3-one or 6,8,10-undecatrien-4-one, and aroma compositions T. HASEGAWA CO., LTD. (JP) 2010-09-14 US disclosed
EP-2168940-A9 6,8,10-UNDECATRIEN-(3 OR 4)-ONE AND PERFUME COMPOSITION T. Hasegawa Co., Ltd. (JP) 2010-06-09 EP disclosed
US-20100137648-A1 6,8,10-UNDECATRIEN-3-ONE OR 6,8,10-UNDECATRIEN-4-ONE, AND AROMA COMPOSITIONS T. HASEGAWA CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137648-A1 6,8,10-UNDECATRIEN-3-ONE OR 6,8,10-UNDECATRIEN-4-ONE, AND AROMA COMPOSITIONS T. HASEGAWA CO., LTD. (JP) 2010-06-03 US disclosed
EP-2168940-A1 6,8,10-UNDECATRIEN-(3 OR 4)-ONE AND PERFUME COMPOSITION T. Hasegawa Co., Ltd. (JP) 2010-03-31 EP 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-20100137648-A1 6,8,10-UNDECATRIEN-3-ONE OR 6,8,10-UNDECATRIEN-4-ONE, AND AROMA COMPOSITIONS OR10J3, ALOX5, TAS2R13 CES2 2836/4885CES1 1759/4885FASN 41/4885

“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.