SCHEMBL949443

SCHEMBL949443

CC(Br)C(=O)OC(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 3/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL28008735 0.83 TRPA1 (0.48) TRPA1ALDH1A1CYP2C19L3MBTL1FAAH
SCHEMBL952341 0.83 ALDH1A1 (0.37) TRPA1ALDH1A1CYP2C19FAAH
SCHEMBL9305160 0.81 CYP2C19 (0.31) TRPA1ALDH1A1CYP2C19L3MBTL1
SCHEMBL6804265 0.81 TRPA1 (0.46) TRPA1ALDH1A1CYP2C19L3MBTL1FAAH
SCHEMBL14657011 0.80 ALDH1A1 (0.44) TRPA1ALDH1A1CYP2C19L3MBTL1
SCHEMBL952339 0.79 SMN1; SMN2 (0.32) ALDH1A1CYP2C19
Propionic Acid SCHEMBL28074303 0.76 FFAR3 (0.42) TRPA1ALDH1A1
SCHEMBL28461320 0.74 ALDH1A1 (0.50) TRPA1ALDH1A1CYP2C19L3MBTL1FAAH
SCHEMBL28622651 0.73 ALDH1A1 (0.36) TRPA1ALDH1A1
SCHEMBL100137 0.73

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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 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 (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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TRPA1 3154/4885ALDH1A1 313/4885CYP2C19 2490/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TRPA1 3154/4885ALDH1A1 313/4885CYP2C19 2490/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TRPA1 3154/4885ALDH1A1 313/4885CYP2C19 2490/4885

“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.