SCHEMBL5605341

SCHEMBL5605341

CCCC/C=C/n1ccc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
OXER1 Q8TDS5 2/20 0.39
SLC6A2 P23975 6/20 0.39
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NOTUM Q6P988 1/20 0.34
MAOB P27338 1/20 0.34
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL6075240 1.00 CDK4 (0.40) CDK4CCND1OXER1SLC6A2DRD2
SCHEMBL27781524 0.95 OXER1 (0.39) CDK4CCND1OXER1SLC6A2DRD2
SCHEMBL5667504 0.83 CDK4 (0.42) CDK4CCND1SLC6A2DRD2SLC6A4
SCHEMBL5667509 0.83 CDK4 (0.42) CDK4CCND1SLC6A2DRD2SLC6A4
SCHEMBL31210079 0.83 CDK4 (0.42) CDK4CCND1SLC6A2DRD2SLC6A4
SCHEMBL6156998 0.76 CDK4 (0.42) CDK4CCND1SLC6A2HTR2AHTR2C
SCHEMBL30913018 0.74 PGR (0.40) OXER1SOAT2SOAT1
SCHEMBL31544331 0.73 SOAT2 (0.37) OXER1SOAT2SOAT1
SCHEMBL27575917 0.73 CDK4 (0.42) CDK4CCND1SLC6A2HTR2AHTR2C
SCHEMBL2452096 0.71 PGR (0.42) OXER1SOAT2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 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-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
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 CDK4 1303/4885CCND1 2270/4885OXER1 1179/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 CDK4 1169/4885CCND1 2285/4885OXER1 1177/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CDK4 1303/4885CCND1 2270/4885OXER1 1179/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CDK4 1303/4885CCND1 2270/4885OXER1 1179/4885

“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.