SCHEMBL4795365

SCHEMBL4795365

CCC(=O)Oc1cccc(O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
HIF1A Q16665 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ACHE P22303 2/20 0.41
ALOX15 P16050 2/20 0.41
MAOB P27338 2/20 0.39
ELANE P08246 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27395153 0.84 KMT2A (0.43) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL67780 0.84 ALOX15 (0.50) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL361508 0.82 GAA (0.50) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL9997113 0.81 CA12 (0.46) ESR1HIF1ARECQLKMT2ASMN1; SMN2
Methane SCHEMBL10713153 0.80 GAA (0.48) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL9900461 0.80 MAPK1 (0.47) ESR1RECQLKMT2AACHEALOX15
SCHEMBL27853104 0.79 ACHE (0.41) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL10876865 0.79 CA12 (0.41) ESR1HIF1ARECQLKMT2ASMN1; SMN2
SCHEMBL28851582 0.78 THRB (0.55) ESR1HIF1ARECQLKMT2ACA12
SCHEMBL27634751 0.78 PTPN1 (0.44) ESR1HIF1ARECQLKMT2ASMN1; SMN2

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 ESR1 4045/4885HIF1A 2110/4885RECQL 2238/4885

“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.