SCHEMBL2811489

SCHEMBL2811489

CCC/C(=C\Br)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FFAR3 O14843 3/20 0.33
TSHR P16473 3/20 0.33
CTSD P07339 1/20 0.33
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
TET2 Q6N021 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL2811491 1.00 ALDH1A1 (0.36) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL10865876 0.83 ALDH1A1 (0.36) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL9410921 0.82 ALDH1A1 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL2808877 0.82
SCHEMBL2808880 0.82
Ammonia Solution, Strong SCHEMBL28753786 0.80 ALDH1A1 (0.37) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL27677179 0.80 ALDH1A1 (0.37) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL13715425 0.78 ALDH1A1 (0.36) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL3357407 0.78 CTSD (0.38) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL28468850 0.78 ALDH1A1 (0.36) ALDH1A1CES2CES1HDAC3HDAC1

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-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 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 (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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 ALDH1A1 405/4885CES2 2038/4885CES1 414/4885

“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.