SCHEMBL2998008

SCHEMBL2998008

CCOC(=O)c1cccc(-c2ccc(OC)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
LMNA P02545 1/20 0.64
TSHR P16473 1/20 0.64
ERCC5 P28715 1/20 0.59
FEN1 P39748 1/20 0.59
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4193217 0.89 TP53 (0.61) HPGD
SCHEMBL15183798 0.88 MEN1 (0.62) SMN1; SMN2MEN1KMT2A
SCHEMBL4174579 0.88 CYP1A1 (0.54) HPGDLMNATSHR
SCHEMBL29617015 0.87 TP53 (0.62) HPGDALDH1A1SMN1; SMN2
SCHEMBL5863231 0.86 TP53 (0.56) HPGDLMNAALDH1A1MAPK1MEN1
SCHEMBL2404818 0.86 NPC1 (0.59) HPGDALDH1A1SMN1; SMN2
SCHEMBL5943816 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1KDM4ESMN1; SMN2
SCHEMBL2771575 0.85 CA12 (0.62) HPGD
SCHEMBL13639694 0.85 CDC25A (0.49) HPGDLMNATSHR
SCHEMBL7825137 0.84 PLAU (0.66) HPGDLMNATSHRERCC5FEN1

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
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
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 WO disclosed
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
EP-0693062-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LTD. (GB) 1996-01-24 EP disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed
WO-1994024116-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LIMITED (GB) 1994-10-27 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 HPGD 3937/4885LMNA 3666/4885TSHR 1273/4885

“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.