SCHEMBL2995600

SCHEMBL2995600

CCOC(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
RAB9A P51151 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 3/20 0.64
MEN1 O00255 2/20 0.64
USP2 O75604 2/20 0.64
LMNA P02545 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.64
ALOX15 P16050 1/20 0.64
SIRT2 Q8IXJ6 3/20 0.63
SIRT1 Q96EB6 2/20 0.63
SIRT3 Q9NTG7 1/20 0.63
GABRA1 P14867 1/20 0.60
GABRB2 P47870 1/20 0.60
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
NPC1 O15118 3/20 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
SCHEMBL5827808 0.89 SIRT2 (0.64) MAPTRAB9AL3MBTL1TSHRHSD17B10
SCHEMBL29394052 0.88 RAB9A (0.73) MAPTRAB9AL3MBTL1TSHRHSD17B10
SCHEMBL1640023 0.88 RAB9A (0.73) MAPTRAB9AL3MBTL1TSHRHSD17B10
SCHEMBL18392739 0.81 CYP3A4 (0.52) MAPTRAB9AHSD17B10MEN1USP2
SCHEMBL1965326 0.79 CA1 (0.73) MAPTRAB9ATSHRMEN1LMNA
SCHEMBL16351874 0.79 CA1 (0.73) MAPTRAB9ATSHRMEN1LMNA
SCHEMBL7310973 0.79 MEN1 (0.66) MAPTRAB9AL3MBTL1TSHRHSD17B10
SCHEMBL1464834 0.79 MAPK1 (0.69) MAPTRAB9AL3MBTL1TSHRMEN1
SCHEMBL18764352 0.79 MEN1 (0.67) MAPTRAB9AL3MBTL1TSHRHSD17B10
SCHEMBL31516589 0.79 MEN1 (0.67) MAPTRAB9AL3MBTL1TSHRHSD17B10

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 MAPT 3794/4885RAB9A 808/4885L3MBTL1 2153/4885

“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.