SCHEMBL16689754

SCHEMBL16689754

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
CYP19A1 P11511 4/20 0.40
PPARG P37231 3/20 0.40
OXER1 Q8TDS5 3/20 0.40
MAPT P10636 3/20 0.40
RXRA P19793 2/20 0.40
FFAR1 O14842 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
PTGS1 P23219 2/20 0.38
KMT2A Q03164 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL11853506 1.00 ALDH1A1 (0.40) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL11853510 1.00 ALDH1A1 (0.40) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL6065110 0.84 FAAH (0.48) CYP19A1PPARGMAPTCES2CES1
SCHEMBL6065108 0.84 FAAH (0.48) CYP19A1PPARGMAPTCES2CES1
SCHEMBL11806490 0.84 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL11533285 0.82
SCHEMBL11533281 0.82
SCHEMBL11078516 0.79
SCHEMBL16705751 0.79
SCHEMBL9327903 0.79

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-20170335355-A1 METHOD FOR PRODUCING OXO FATTY ACID AND RARE FATTY ACID KYOTO UNIVERSITY (JP) 2017-11-23 US disclosed
US-9719115-B2 Method for producing oxo fatty acid and rare fatty acid KYOTO UNIVERSITY (JP) 2017-08-01 US disclosed
US-9707200-B2 Metabolism-improving agent comprising rare fatty acid KYOTO UNIVERSITY (JP) 2017-07-18 US disclosed
US-9539229-B2 Intestinal tract-protecting agent containing hydroxylated fatty acid KYOTO UNIVERSITY (JP) 2017-01-10 US disclosed
US-20160000739-A1 INTESTINAL TRACT-PROTECTING AGENT CONTAINING HYDROXYLATED FATTY ACID NOSTER INC. (JP) 2016-01-07 US disclosed
US-20150342916-A1 METABOLISM-IMPROVING AGENT COMPRISING RARE FATTY ACID NOSTER INC. (JP) 2015-12-03 US disclosed
US-20150125911-A1 METHOD FOR PRODUCING OXO FATTY ACID AND RARE FATTY ACID NOSTER INC. (JP) 2015-05-07 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-20150342916-A1 METABOLISM-IMPROVING AGENT COMPRISING RARE FATTY ACID FADS1, FASN, ELOVL1 ALDH1A1 757/4885CYP19A1 369/4885PPARG 147/4885
US-20160000739-A1 INTESTINAL TRACT-PROTECTING AGENT CONTAINING HYDROXYLATED FATTY ACID FABP2, SI, VIP ALDH1A1 331/4885CYP19A1 778/4885PPARG 65/4885

“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.