SCHEMBL4803142

SCHEMBL4803142

O=C(O)[C@@H](Cl)Cc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.60
CA2 P00918 2/20 0.54
CAMK2A Q9UQM7 1/20 0.54
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
POLB P06746 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
SLC6A2 P23975 1/20 0.45
FOLH1 Q04609 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CA1 P00915 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL133927 0.83 PPARG (0.56) CA2SLC6A2
SCHEMBL1566396 0.83 CYP1A2 (0.61) SLC7A5FOLH1
SCHEMBL7483692 0.83 CYP1A2 (0.61) SLC7A5FOLH1
SCHEMBL2397070 0.83 CYP1A2 (0.61) SLC7A5FOLH1
SCHEMBL7508594 0.82 CPA1 (0.51) CA2
SCHEMBL7510405 0.82 CPA1 (0.51) CA2
Hydrochloric Acid SCHEMBL6054521 0.81 CYP1A2 (0.59) SLC7A5FOLH1
SCHEMBL490650 0.80 SLC7A5 (0.67) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL14314182 0.79 ESR1 (0.47) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL10436391 0.78 CYP1A2 (0.68) SLC7A5CA2CAMK2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999095-A2 PROCESSES FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-ACETOXYSTYRENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-10 EP disclosed
US-7402713-B2 Processes for conversion of tyrosine to p-hydroxystyrene and p-acetoxystyrene E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
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
WO-2007103478-A2 PROCESSES FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-ACETOXYSTYRENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-13 WO disclosed
US-20070213569-A1 Processes for conversion of tyrosine to p-hydroxystyrene and p-acetoxystyrene E. I. DU PONT DE NEMOURS AND COMPANY 2007-09-13 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 (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-20070213569-A1 Processes for conversion of tyrosine to p-hydroxystyrene and p-acetoxystyrene TH, PAH, TPST2 SLC7A5 3262/4885CA2 2621/4885CAMK2A 1693/4885
US-20080167493-A1 METHODS FOR CONVERSION OF TYROSINE TO P-HYDROXYSTYRENE AND P-HYDROXYCINNAMIC ACID TH, HPD, PAH SLC7A5 771/4885CA2 2294/4885CAMK2A 2611/4885

“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.