SCHEMBL6128403

SCHEMBL6128403

CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)C1C/C=C\CC(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
SLCO2A1 Q92959 2/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.59
PTGFR P43088 3/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PTGER4 P35408 5/20 0.52
TBXA2R P21731 4/20 0.52
PTGER2 P43116 4/20 0.52
PTGIR P43119 3/20 0.52
PTGER1 P34995 3/20 0.52
PTGER3 P43115 3/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 2/20 0.52
PTGDR Q13258 1/20 0.52
NR1I2 O75469 1/20 0.52
ESR1 P03372 1/20 0.52
PGR P06401 1/20 0.52

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
SCHEMBL6125190 1.00 ALDH1A1 (0.81) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL30362666 0.90 ALDH1A1 (1.00) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL29368985 0.90 ALDH1A1 (1.00) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL6128402 0.90 ALDH1A1 (1.00) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL501141 0.90 ALDH1A1 (1.00) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL31280569 0.87 ALDH1A1 (0.78) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL30846068 0.84 PTGFR (0.65) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL3344355 0.82 MEN1 (0.81) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL38663703 0.82 MEN1 (0.81) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1
SCHEMBL29559217 0.82 MEN1 (0.81) ALDH1A1SLCO2A1PTGDR2PTGFRMEN1

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-8168400-B2 Methods and kits for detection of thromboxane A2 metabolites CORGENIX MEDICAL CORPORATION (US) 2012-05-01 US disclosed
US-8105790-B2 Methods and kits for detection of thromboxane A2 metabolites CORGENIX MEDICAL CORPORATION (US) 2012-01-31 US disclosed
US-20110275789-A1 Methods and Kits for Detection of Thromboxane A2 Metabolites CAYMAN CHEMICAL COMPANY (US) 2011-11-10 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 (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-20110275789-A1 Methods and Kits for Detection of Thromboxane A2 Metabolites TBXA2R, TBXAS1, PLAT ALDH1A1 574/4885SLCO2A1 2378/4885PTGDR2 16/4885

“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.