SCHEMBL2998614

SCHEMBL2998614

COc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.69
▸ CES1 P23141 1/20 0.69
▸ KMT2A Q03164 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ ELANE P08246 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ ACHE P22303 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPC1 O15118 2/20 0.57
▸ GAA P10253 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56

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
SCHEMBL18545953 1.00 CES2 (0.69) CES2CES1KMT2ARAB9AMEN1
SCHEMBL24489353 0.95 CES2 (0.62) CES2CES1KMT2ARAB9AMEN1
SCHEMBL6618691 0.94 CES2 (0.77) CES2CES1KMT2ARAB9AMEN1
SCHEMBL50261 0.94 CES2 (0.77) CES2CES1KMT2ARAB9AMEN1
Benzophenone SCHEMBL27935236 0.94 CES2 (0.77) CES2CES1KMT2ARAB9AMEN1
Anisole SCHEMBL27657177 0.92 CES2 (0.58) CES2CES1KMT2ARAB9AMEN1
SCHEMBL28393149 0.92 CES2 (0.74) CES2CES1KMT2ARAB9AMEN1
SCHEMBL28888786 0.92 CES2 (0.74) CES2CES1KMT2ARAB9AMEN1
Hydrochloric Acid SCHEMBL4595093 0.92 CES2 (0.74) CES2CES1KMT2ARAB9AMEN1
Hydrochloric Acid SCHEMBL4595086 0.92 CES2 (0.74) CES2CES1KMT2ARAB9AMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103382378-A Weather-resistant epoxy adhesive ZHANG YUNQUAN 2013-11-06 — — CN claimed
CN-103382378-A Weather-resistant epoxy adhesive ZHANG YUNQUAN 2013-11-06 — — 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
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-4529491-A Containing a biphenyl ketone AKZONA INCORPORATED (US) 1985-07-16 — — US disclosed
EP-0051329-B1 PHOTOPOLYMERIZABLE COMPOSITION, PHOTOINITIATOR MIXTURE AND CURING PROCESS AKZO N.V. (NL) 1984-11-28 — — EP disclosed
US-4469575-A BENZIL OR FLUORENONE AND A BIPHENYLYL DETONE AKZONA (US) 1984-09-04 — — US disclosed
US-4442022-A BENZIL OR FLUORENONE AND SPECIFIC BIPHENYL KETONE AKZONA, INC. (US) 1984-04-10 — — US disclosed
EP-0051329-A1 Photopolymerizable composition, photoinitiator mixture and curing process AKZO N.V. (NL) 1982-05-12 — — EP 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 CES2 3562/4885CES1 3806/4885KMT2A 321/4885

“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.

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