SCHEMBL3226430

SCHEMBL3226430

NCCCCC/C=C(\F)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.56
LMNA P02545 2/20 0.41
THRB P10828 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLG P00747 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41
RECQL P46063 1/20 0.41
SLC6A3 Q01959 1/20 0.41
EP300 Q09472 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PAOX Q6QHF9 3/20 0.36
SLC6A5 Q9Y345 2/20 0.36

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
SCHEMBL3463571 1.00 GABRR1 (0.56) GABRR1LMNATHRBKMT2AMEN1
SCHEMBL3463170 1.00 GABRR1 (0.56) GABRR1LMNATHRBKMT2AMEN1
SCHEMBL3463573 1.00 GABRR1 (0.56) GABRR1LMNATHRBKMT2AMEN1
SCHEMBL3463388 1.00 GABRR1 (0.56) GABRR1LMNATHRBKMT2AMEN1
SCHEMBL3463386 1.00 GABRR1 (0.56) GABRR1LMNATHRBKMT2AMEN1
SCHEMBL3226434 1.00 GABRR1 (0.56) GABRR1LMNATHRBKMT2AMEN1
SCHEMBL3463171 1.00 GABRR1 (0.56) GABRR1LMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL3463078 0.98 GABRR1 (0.54) GABRR1LMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL3463621 0.98 GABRR1 (0.54) GABRR1LMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL3463079 0.98 GABRR1 (0.54) GABRR1LMNATHRBKMT2AMEN1

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-20100063583-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY VASCULAR DISEASES ARETE THERAPEUTICS, INC. 2010-03-11 US disclosed
WO-2010025043-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY VASCULAR DISEASES ARETE THERAPEUTICS, INC. (US) 2010-03-04 WO disclosed
US-20090270452-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF SMOOTH MUSCLE DISORDERS ARETE THERAPEUTICS, INC. 2009-10-29 US disclosed
WO-2009129501-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF SMOOTH MUSCLE DISORDERS ARETE THERAPEUTICS, INC. (US) 2009-10-22 WO disclosed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 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-20090270452-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF SMOOTH MUSCLE DISORDERS EPHX1, PTGIS, PDE3A GABRR1 127/4885LMNA 2614/4885THRB 3513/4885
US-20100063583-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY VASCULAR DISEASES ALOX15B, ALOX15, ALOX12 GABRR1 4648/4885LMNA 1688/4885THRB 2717/4885

“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.