SCHEMBL820777

SCHEMBL820777

CC/C=C/C/C=C/CC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 4/20 0.51
ADORA3 P0DMS8 2/20 0.46
NR1I2 O75469 2/20 0.46
PTGS2 P35354 2/20 0.46
PGR P06401 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 8/20 0.45
CYP19A1 P11511 4/20 0.45
PPARG P37231 3/20 0.45
MAPT P10636 3/20 0.45
RXRA P19793 2/20 0.45
FFAR1 O14842 2/20 0.45
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 3/20 0.42
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42

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
SCHEMBL16580123 1.00 OXER1 (0.51) OXER1ADORA3NR1I2PTGS2PGR
SCHEMBL17676486 1.00 OXER1 (0.51) OXER1ADORA3NR1I2PTGS2PGR
SCHEMBL872828 0.93
SCHEMBL872827 0.93
SCHEMBL813287 0.93
SCHEMBL820772 0.91 CYP4F2 (0.46) OXER1ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL12670444 0.91 OXER1 (0.45) OXER1ADORA3NR1I2PTGS2PGR
SCHEMBL12670448 0.91 OXER1 (0.45) OXER1ADORA3NR1I2PTGS2PGR
SCHEMBL17612150 0.91 ALDH1A1 (0.57) OXER1ADORA3NR1I2PTGS2PGR
SCHEMBL30986796 0.91 ADORA3 (0.56) OXER1ADORA3NR1I2PTGS2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284313-A1 REACTIONS IN THE PRESENCE OF RUTHENIUM COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 US disclosed
US-8841360-B2 Enzyme curable alkyd composition ROHM AND HAAS COMPANY (US) 2014-09-23 US disclosed
US-8067623-B2 Producing waxes from soybean oil; ruthenium alkylidene catalytic, simultaneous opening and inserting ELEVANCE RENEWABLE SCIENCES, INC. (US) 2011-11-29 US disclosed
US-20080064891-A1 Ring opening cross-metathesis reaction of cyclic olefins with seed oils and the like WILMAR TRADING PTE LTD (SG) 2008-03-13 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-20080064891-A1 Ring opening cross-metathesis reaction of cyclic olefins with seed oils and the like SQLE, COASY, ALOX12 OXER1 8/4885ADORA3 4112/4885NR1I2 2200/4885
US-20150284313-A1 REACTIONS IN THE PRESENCE OF RUTHENIUM COMPLEXES DDC, LTC4S, CYCS OXER1 891/4885ADORA3 1205/4885NR1I2 1770/4885

“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.