SCHEMBL4800730

SCHEMBL4800730

CCC(=O)Oc1c(O)cccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ACHE P22303 2/20 0.41
IAPP P10997 4/20 0.39
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ESR1 P03372 2/20 0.39
HIF1A Q16665 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.34
MAOB P27338 1/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL289563 0.87 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL15546961 0.83 ACHE (0.41) ACHEELANESMN1; SMN2ESR1HIF1A
SCHEMBL8830200 0.81 ACHE (0.40) ACHEELANESMN1; SMN2ESR1HIF1A
SCHEMBL2469340 0.81 ACHE (0.43) ACHEELANESMN1; SMN2ESR1HIF1A
Hydrochloric Acid SCHEMBL21519784 0.80 ACHE (0.42) ACHEELANESMN1; SMN2ESR1HIF1A
SCHEMBL6060769 0.79 CA1 (0.41) CA1CA2CA12CA7CA9
SCHEMBL2671806 0.79 ACHE (0.47) CA1CA2CA12CA7CA9
SCHEMBL5199939 0.78 ALDH1A1 (0.48) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL7834968 0.78 ACHE (0.46) CA1CA2CA12CA7CA9
SCHEMBL6065085 0.77 MAPT (0.44) CA1CA2CA12CA7CA9

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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-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 (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-20070213569-A1 Processes for conversion of tyrosine to p-hydroxystyrene and p-acetoxystyrene TH, PAH, TPST2 CA1 2883/4885CA2 2621/4885CA12 2337/4885

“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.