SCHEMBL1070543

SCHEMBL1070543

CCCCCCCOc1cc(C)cc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
ALOX15 P16050 1/20 0.56
PLA2G2A P14555 2/20 0.55
TSHR P16473 2/20 0.55
NR5A1 Q13285 1/20 0.52
BLM P54132 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
LTA4H P09960 3/20 0.46
GGPS1 O95749 1/20 0.45
PLA2G4B P0C869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6462571 0.98 TP53 (0.53) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL8728856 0.96 TP53 (0.51) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL17835021 0.96 PLA2G2A (0.59) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL12550198 0.96 PLA2G2A (0.59) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL21388518 0.93 PLA2G2A (0.56) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL1071885 0.91 TP53 (0.50) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL12749081 0.91 TP53 (0.63) TP53ALOX15PLA2G2ATSHRALDH1A1
SCHEMBL20148280 0.87 PLA2G2A (0.47) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL19908451 0.87 PLA2G2A (0.47) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL13933169 0.87 PLA2G2A (0.51) TP53ALOX15PLA2G2ATSHRNR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272813-B1 Copper-catalyzed formation of carbon-oxygen bonds MASSACHUSETTS INST TECHNOLOGY (US) 2016-11-16 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
EP-2272813-A2 Copper-catalyzed formation of carbon-oxygen bonds Massachusetts Institute of Technology (MIT) (US) 2011-01-12 EP disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 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 (4 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TP53 2761/4885ALOX15 415/4885PLA2G2A 3525/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 TP53 2590/4885ALOX15 300/4885PLA2G2A 3141/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TP53 2761/4885ALOX15 415/4885PLA2G2A 3525/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TP53 2761/4885ALOX15 415/4885PLA2G2A 3525/4885

“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.