SCHEMBL5137033

SCHEMBL5137033

C=CCN(CC=C)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
ESR1 P03372 2/20 0.41
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
CA2 P00918 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
FOLH1 Q04609 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5137034 1.00 SLC7A5 (0.47) SLC7A5ESR1POLBESR2CA2
SCHEMBL2296245 0.87 CYP1A2 (0.47) SLC7A5FOLH1
SCHEMBL2296250 0.87 CYP1A2 (0.47) SLC7A5FOLH1
SCHEMBL32681194 0.85 OPRK1 (0.42) SLC7A5ESR1ESR2CA2CAMK2A
SCHEMBL14980577 0.84 KDM6B (0.53) SLC7A5ESR1POLBCA2OPRK1
SCHEMBL30736141 0.79 SLC7A5 (0.51) SLC7A5ESR1POLBESR2CA2
SCHEMBL14357545 0.79 SLC7A5 (0.51) SLC7A5ESR1POLBESR2CA2
SCHEMBL3209764 0.79 SLC7A5 (0.42) SLC7A5ESR1POLBESR2FOLH1
SCHEMBL1374628 0.78 SLC7A5 (0.47) SLC7A5ESR1POLBESR2CA2
SCHEMBL1374625 0.78 SLC7A5 (0.47) SLC7A5ESR1POLBESR2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085512-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-17 WO claimed
US-20080167493-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID E. I. DU PONT DE NEMOURS AND COMPANY 2008-07-10 US claimed
WO-2008085512-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-17 WO disclosed
US-20080167493-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID E. I. DU PONT DE NEMOURS AND COMPANY 2008-07-10 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-20080167493-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID TH, HPD, PAH SLC7A5 771/4885ESR1 2154/4885POLB 1496/4885

“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.