SCHEMBL1666028

SCHEMBL1666028

Pc1cccc(C2(C3CCCCC3)CCCCC2)c1C1(C2CCCCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40

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
SCHEMBL28465330 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL2589110 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL28866366 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL527776 0.73 HDAC4 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL9004261 0.72 HDAC4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL944385 0.71 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL4379605 0.70 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL13004772 0.69 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL9797247 0.69 HDAC4 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL11041604 0.69 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308817-B1 Minimization of ligand degradation products, or reversion of same to useful phosphine ligands DOW TECHNOLOGY INVESTMENTS LLC (US) 2016-10-05 EP disclosed
CN-105693498-A Method for synthesizing alpha, beta-unsaturated acid by using formic acid and alkine 南开大学 2016-06-22 CN disclosed
EP-1646599-B1 MINIMIZATION OF LIGAND DEGRADATION PRODUCTS, OR REVERSION OF SAME TO USEFUL PHOSPHINE LIGANDS DOW TECHNOLOGY INVESTMENTS LLC (US) 2015-12-02 EP disclosed
EP-2308817-A2 Minimization of ligand degradation products, or reversion of same to useful phosphine ligands Dow Technology Investments LLC (US) 2011-04-13 EP disclosed
US-7485759-B2 Minimization of ligand degradation products, or reversion of same to useful phosphine ligands DOW TECHNOLOGY INVESTMENTS LLC (US) 2009-02-03 US disclosed
US-20080114191-A1 MINIMIZATION OF LIGAND DEGRADATION PRODUCTS, OR REVERSION OF SAME TO USEFUL PHOSPHINE LIGANDS Union Carbide Chemicals & Plastics Technology LLC (formerly Union Carbide Chemicals & Plastics Techn (US) 2008-05-15 US disclosed
US-7351868-B2 Minimization of ligand degradation products, of reversion of same to useful phosphine ligands UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2008-04-01 US disclosed
US-20070100169-A1 Minimization of ligand degradation products, of reversion of same to useful phosphine ligands UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2007-05-03 US disclosed
EP-1646599-A1 MINIMIZATION OF LIGAND DEGRADATION PRODUCTS, OR REVERSION OF SAME TO USEFUL PHOSPHINE LIGANDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-04-19 EP disclosed
WO-2005007602-A1 MINIMIZATION OF LIGAND DEGRADATION PRODUCTS, OF REVERSION OF SAME TO USEFUL PHOSPHINE LIGANDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-01-27 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 (2 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-20080114191-A1 MINIMIZATION OF LIGAND DEGRADATION PRODUCTS, OR REVERSION OF SAME TO USEFUL PHOSPHINE LIGANDS PHOSPHO1, FFAR4, PTGER4 SLC6A2 3787/4885SLC6A4 2581/4885SLC6A3 4115/4885
US-20070100169-A1 Minimization of ligand degradation products, of reversion of same to useful phosphine ligands PHOSPHO1, FFAR4, NOTUM SLC6A2 3559/4885SLC6A4 2383/4885SLC6A3 3966/4885

“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.