SCHEMBL2999658

SCHEMBL2999658

c1ccc2c(-c3cccc4cccnc34)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
MAPT P10636 4/20 0.58
CCR1 P32246 4/20 0.58
CCR8 P51685 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
MMP2 P08253 2/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 2/20 0.58
CCR5 P51681 2/20 0.58
TP53 P04637 2/20 0.58
GMNN O75496 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CYP2D6 P10635 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58

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
SCHEMBL5229804 0.89 CCR1 (0.54) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL12853981 0.87 LMNA (0.68) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL30184687 0.87 CCR1 (0.75) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL1282008 0.87 CCR1 (0.75) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL13078965 0.86 GSK3B (0.47) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL13978864 0.84 CCR1 (0.58) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL9976751 0.83 CCR1 (0.47) KDM4EMAPTCCR1CCR8SMN1; SMN2
Phenanthrene SCHEMBL16685315 0.83 CCR1 (0.76) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL17931889 0.83 KDM4E (0.52) KDM4EMAPTCCR1CCR8SMN1; SMN2
SCHEMBL19767983 0.83 KDM4E (0.52) KDM4EMAPTCCR1CCR8SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112250708-B Anthracene-containing dimer skeleton ligand, preparation method thereof and application thereof in metal catalytic reaction 中国科学院理化技术研究所 2023-10-13 CN disclosed
CN-112250708-A Anthracene dimer-containing framework ligand, preparation method thereof and application thereof in metal catalytic reaction 中国科学院理化技术研究所 2021-01-22 CN 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
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
CN-101300209-A Nickel-or iron-catalyzed carbon-carbon coupling of arylenes, alkenes and alkynes SALTIGO GMBH (DE) 2008-11-05 CN 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 KDM4E 3227/4885MAPT 3794/4885CCR1 710/4885

“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.