SCHEMBL13207481

SCHEMBL13207481

CC[C@@H]1CN(C)C[C@@H]1CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL2611670 1.00 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL16002400 0.94 SLC6A3 (0.31) NOS3NOS1NOS2
SCHEMBL14431957 0.87
SCHEMBL22972544 0.87 SLC6A3 (0.39) NOS1NOS2
SCHEMBL19346289 0.87 NCF1 (0.36) NOS3NOS1NOS2
SCHEMBL24043063 0.87 GBA1 (0.39)
SCHEMBL18417897 0.85 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL13435018 0.83
SCHEMBL12702372 0.83
SCHEMBL24970734 0.83

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
US-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US disclosed
US-9334227-B2 Carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2016-05-10 US disclosed
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2015-04-09 US disclosed
US-8785678-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2014-07-22 US disclosed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US disclosed
US-20120309613-A1 CARBONYLATION PROCESS LUCITE INTERNATIONAL UK LIMITED (GB) 2012-12-06 US disclosed
US-20120277474-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2012-11-01 US disclosed
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2010-08-05 US disclosed
US-20100022799-A1 CARBONYLATION OF CONJUGATED DIENES LUCITE INTERNATIONAL UK LIMITED (GB) 2010-01-28 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US disclosed
US-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2009-06-25 US 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 (6 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-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK NOS3 1366/4885NOS1 1104/4885NOS2 949/4885
US-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds CBR3, ETFA, ACOX3 NOS3 655/4885NOS1 2024/4885NOS2 1835/4885
US-20120277474-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE CCNE2, CYC1, ETFB NOS3 436/4885NOS1 131/4885NOS2 158/4885
US-20100022799-A1 CARBONYLATION OF CONJUGATED DIENES CBR3, CBR1, CA5B NOS3 799/4885NOS1 1639/4885NOS2 1053/4885
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 NOS3 237/4885NOS1 308/4885NOS2 156/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 NOS3 1360/4885NOS1 1132/4885NOS2 864/4885

“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.