SCHEMBL2352990

SCHEMBL2352990

CCOC(=O)CCC1(Br)C=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TRPA1 O75762 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 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
Succinic Acid Diethyl Ester SCHEMBL22780 0.72 GAA (0.67) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL27768067 0.72 GAA (0.67) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL1863674 0.71 CYP1A2 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL27525301 0.70 GAA (0.63) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL21815758 0.70 GAA (0.63) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL29494609 0.70 GAA (0.63) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL28853161 0.70 GAA (0.63) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL4324913 0.70 GAA (0.63) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL4702420 0.69 CYP1A2 (0.45) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL212144 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190137-A1 METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS JACOBSON RICHARD MARTIN 2011-08-04 US disclosed
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP disclosed
US-20050065033-A1 Method to inhibit ethylene responses in plants JACOBSON RICHARD MARTIN (US) 2005-03-24 US disclosed
EP-1409440-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2004-04-21 EP disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO 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-20050065033-A1 Method to inhibit ethylene responses in plants ERN1, CTH, CBS ALDH1A1 4370/4885TRPA1 3331/4885CYP1A2 1503/4885
US-20110190137-A1 METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ERN1, CTH, CBR3 ALDH1A1 4363/4885TRPA1 3497/4885CYP1A2 1465/4885

“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.