SCHEMBL2352196

SCHEMBL2352196

CCOC(=O)CCC1(Br)CC1(Br)Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL12394195 0.80 TSHR (0.48) ALDH1A1CYP1A2GAAMGAMSI
SCHEMBL2352990 0.74 ALDH1A1 (0.45) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL1863674 0.74 CYP1A2 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL28078421 0.72 CYP1A2 (0.45) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL4702420 0.72 CYP1A2 (0.45) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL27768067 0.71 GAA (0.67) ALDH1A1TRPA1CYP1A2GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL22780 0.71 GAA (0.67) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL23484497 0.71 CYP1A2 (0.44) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL5109822 0.71 CYP1A2 (0.44) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL14032871 0.70 CYP1A2 (0.40) ALDH1A1TRPA1CYP1A2GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101828552-B Methods of blocking ethylene response in plants using cyclopropene derivatives UNIV NORTH CAROLINA STATE 2014-09-24 CN disclosed
US-20110190137-A1 METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS JACOBSON RICHARD MARTIN 2011-08-04 US disclosed
CN-1450859-B Method for blocking ethylene response in plants using cyclopropene derivatives UNIV NORTH CAROLINA STATE 2011-08-03 CN disclosed
CN-101828552-A Method with the cyclopropene derivatives blocking ethylene response in plants UNIV NORTH CAROLINA STATE 2010-09-15 CN 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
EP-1233669-B1 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2004-02-25 EP disclosed
CN-1450859-A method for blocking ethylene response in plants using cyclopropene derivatives UNIV NORTH CAROLINA STATE (US) 2003-10-22 CN disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO disclosed
EP-1233669-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2002-08-28 EP disclosed
US-6365549-B2 PRESERVATION NORTH CAROLINA STATE UNIVERSITY 2002-04-02 US disclosed
US-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives NORTH CAROLINA STATE UNIVERSITY 2001-09-06 US disclosed
WO-2001037663-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2001-05-31 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 (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-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives PRUNE1, NOTUM, FAR1 ALDH1A1 3933/4885TRPA1 3584/4885CYP1A2 3293/4885
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.