SCHEMBL7028823

SCHEMBL7028823

CCOC(=O)CCBr.CCOC(=O)CCCBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 5/20 0.56
TRPA1 O75762 1/20 0.56
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE4D Q08499 1/20 0.47
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL8116488 0.95 CYP1A2 (0.64) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL85568 0.95
SCHEMBL1615423 0.93 CYP1A2 (0.61) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL212144 0.93
SCHEMBL7034021 0.91 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL19638412 0.91
SCHEMBL282083 0.88 CYP1A2 (0.61) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL5514235 0.87 CYP1A2 (0.55) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL24597734 0.86 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL19638401 0.86 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 CYP1A2 528/4885ALDH1A1 687/4885TRPA1 1404/4885

“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.