SCHEMBL1602949

SCHEMBL1602949

CCCCC/C=C/C/C=C/C/C=C/CCOCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
ALDH1A1 P00352 6/20 0.62
PPARG P37231 5/20 0.62
PPARD Q03181 4/20 0.62
PPARA Q07869 4/20 0.62
F7 P08709 4/20 0.62
F3 P13726 4/20 0.62
FFAR1 O14842 3/20 0.62
PTGS1 P23219 3/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP3A4 P08684 3/20 0.62
HPGD P15428 3/20 0.62
ALOX15 P16050 3/20 0.62
HSD17B10 Q99714 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 2/20 0.62
CYP19A1 P11511 2/20 0.62
FABP4 P15090 2/20 0.62
NR4A2 P43354 2/20 0.62

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
SCHEMBL1602954 1.00 EPHX2 (0.62) EPHX2ALDH1A1PPARGPPARDPPARA
SCHEMBL7716340 0.93 EPHX2 (0.71) EPHX2ALDH1A1PPARGPPARDPPARA
SCHEMBL6928120 0.93 EPHX2 (0.71) EPHX2ALDH1A1PPARGPPARDPPARA
SCHEMBL6293227 0.92 EPHX2 (0.69) EPHX2ALDH1A1PPARGPPARDPPARA
SCHEMBL6293226 0.92 EPHX2 (0.69) EPHX2ALDH1A1PPARGPPARDPPARA
SCHEMBL6923085 0.92 EPHX2 (0.69) EPHX2ALDH1A1PPARGPPARDPPARA
SCHEMBL20574227 0.84 PTGS1 (0.72) EPHX2ALDH1A1PPARGPPARDPPARA
SCHEMBL1627678 0.83 EPHX2 (0.71) EPHX2PPARGPPARDPPARAF7
SCHEMBL1627821 0.83 EPHX2 (0.71) EPHX2PPARGPPARDPPARAF7
SCHEMBL1627823 0.83 EPHX2 (0.71) EPHX2PPARGPPARDPPARAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663444-B2 Heteroatom containing substituted fatty acids COMPLEXA, INC. (US) 2017-05-30 US disclosed
US-20170113999-A9 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. (US) 2017-04-27 US disclosed
US-20140256814-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. (US) 2014-09-11 US disclosed
EP-2483233-A2 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS Miller, Raymond A. (US) 2012-08-08 EP disclosed
WO-2011041639-A2 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS MILLER RAYMOND A (US) 2011-04-07 WO disclosed
US-20110082206-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. 2011-04-07 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 (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-20170113999-A9 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 EPHX2 279/4885ALDH1A1 1639/4885PPARG 14/4885
US-20140256814-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 EPHX2 279/4885ALDH1A1 1639/4885PPARG 14/4885
US-20110082206-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 EPHX2 279/4885ALDH1A1 1639/4885PPARG 14/4885

“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.