SCHEMBL16016754

SCHEMBL16016754

CCOC(=O)CCC(C)(CCCCBr)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 2/20 0.40
TRPA1 O75762 1/20 0.40
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 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
SCHEMBL16016737 0.87 DGKA (0.42) CYP1A2ALDH1A1NR1I2PGRADORA3
SCHEMBL16016899 0.86 CYP4F2 (0.50) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL15025242 0.85 CYP1A2 (0.43) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL21830 0.83 CYP1A2 (0.44) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL2141682 0.81 CYP1A2 (0.46) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL282083 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL26711439 0.77 CYP1A2 (0.48) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL24597734 0.75 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL1005765 0.75 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1NR1I2PGR
SCHEMBL47126 0.75 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1NR1I2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 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 (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-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides RNGTT, OSTC, OSGEP CYP1A2 4665/4885ALDH1A1 3379/4885TRPA1 3593/4885

“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.