SCHEMBL2992287

SCHEMBL2992287

c1ccc2c(-c3ccc4c(c3)OCO4)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
PTPRC P08575 1/20 0.53
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAPDH P04406 1/20 0.51
TNKS O95271 2/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
HPGD P15428 1/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL29500442 1.00 ALOX5 (0.53) ALOX5PTPRCRAB9AALDH1A1NPC1
SCHEMBL18292558 0.83 RAB9A (0.68) ALOX5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL20541629 0.79 NPC1 (0.56) ALOX5PTPRCRAB9AALDH1A1NPC1
SCHEMBL21356653 0.79 PTPRC (0.51) ALOX5PTPRCRAB9AALDH1A1NPC1
SCHEMBL12583227 0.77 ALOX5 (0.61) ALOX5PTPRCRAB9AALDH1A1NPC1
SCHEMBL395611 0.76 PTPRC (0.55) PTPRCRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5282347 0.76 PTPRC (0.55) ALOX5PTPRCRAB9AALDH1A1NPC1
SCHEMBL31366955 0.76 PTPRC (0.55) PTPRCRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL27466656 0.76 BCL2L1 (0.59) ALOX5PTPRCRAB9AALDH1A1NPC1
SCHEMBL16801046 0.76 MCL1 (0.46) RAB9AALDH1A1SMN1; SMN2KDM4EMAPT

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
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
EP-1924539-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES Saltigo GmbH (DE) 2008-05-28 EP disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 WO disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 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-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines MON2, ZRANB2, GRIA2 ALOX5 4162/4885PTPRC 1949/4885RAB9A 808/4885

“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.