SCHEMBL3250283

SCHEMBL3250283

CC/C(C(=O)O)=C(\C)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
NR1I2 O75469 1/20 0.52
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
GSK3B P49841 1/20 0.47
MAPT P10636 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL3250292 1.00 CA1 (0.53) CA1CA2NR1I2CES2CES1
SCHEMBL10743838 0.85 CA1 (0.52) CA1CA2CES2CES1HDAC3
SCHEMBL345281 0.84 CA1 (0.55) CA1CA2NR1I2CES2CES1
SCHEMBL9408920 0.84 PDE4B (0.49) CA1CA2CES2CES1HDAC3
SCHEMBL8523377 0.82 THRB (0.49) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL5491615 0.80 CES1 (0.50) CA1CA2CES2CES1MAPT
SCHEMBL6653882 0.80 CA1 (0.63) CA1CA2CES2CES1HDAC3
SCHEMBL6653888 0.80 CA1 (0.63) CA1CA2CES2CES1HDAC3
SCHEMBL6653891 0.80 CA1 (0.63) CA1CA2CES2CES1HDAC3
SCHEMBL5052531 0.79 HDAC3 (0.49) CA1CA2NR1I2CES2CES1

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
EP-1799627-B1 IRON OR COBALT-CATALYZED CARBON-CARBON COUPLING REACTION OF ARYLS, ALKENES AND ALKINES WITH COPPER REAGENTS SALTIGO GMBH (DE) 2010-05-05 EP disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US disclosed
EP-1799627-A1 IRON OR COBALT-CATALYZED CARBON-CARBON COUPLING REACTION OF ARYLS, ALKENES AND ALKINES WITH COPPER REAGENTS Ludwig-Maximilians-Universität München (DE) 2007-06-27 EP disclosed
WO-2006040131-A1 IRON OR COBALT-CATALYZED CARBON-CARBON COUPLING REACTION OF ARYLS, ALKENES AND ALKINES WITH COPPER REAGENTS LUDWIG-MAXIMILIANS- UNIVERSITÄT MÜNCHEN (DE) 2006-04-20 WO 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-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SLC39A14, MAL2, AHR CA1 846/4885CA2 297/4885NR1I2 1843/4885

“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.