SCHEMBL4176129

SCHEMBL4176129

CCCCCCCC/C=C\CCCCCCCCCCCCC(N)CCN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.49
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 5/20 0.49
S1PR4 O95977 4/20 0.49
FAAH O00519 3/20 0.45
TRPV1 Q8NER1 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SOAT1 P35610 1/20 0.44
SPHK1 Q9NYA1 3/20 0.42
GMNN O75496 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 2/20 0.42

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
SCHEMBL165369 1.00 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL7929385 1.00 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL165367 1.00 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FAAH
Propane SCHEMBL9292282 0.98 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL22685806 0.95 KDM4E (0.49) S1PR2S1PR1S1PR3S1PR4TRPV1
Dectaflur SCHEMBL28435673 0.92 SLC6A5 (0.51) S1PR2S1PR1S1PR3S1PR4SLC6A5
SCHEMBL28357369 0.92 SLC6A5 (0.51) S1PR2S1PR1S1PR3S1PR4SLC6A5
SCHEMBL443551 0.92 SLC6A5 (0.51) S1PR2S1PR1S1PR3S1PR4SLC6A5
SCHEMBL4788832 0.92 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL448391 0.92 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291333-B1 PROCESS FOR REDUCING BULKING SLUDGE IN ACTIVATED SLUDGE WASTEWATER TREATMENT AKZO NOBEL NV (NL) 2013-02-27 EP claimed
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL N.V. (NL) 2014-09-11 US disclosed
US-8821754-B2 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2014-09-02 US disclosed
EP-1996669-B1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL NV (NL) 2012-09-26 EP disclosed
US-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2009-05-07 US disclosed
EP-1996669-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES Akzo Nobel N.V. (NL) 2008-12-03 EP disclosed
WO-2008077849-A1 AMINE FORMULATIONS FOR REVERSE FROTH FLOTATION OF SILICATES FROM IRON ORE AKZO NOBEL N.V. (NL) 2008-07-03 WO disclosed
WO-2007107502-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL N.V. (NL) 2007-09-27 WO disclosed
WO-2003054251-A2 NITROGEN-CONTAINING COMPOUNDS AS CORROSION INHIBITORS AKZO NOBEL NV (NL) 2003-07-03 WO disclosed
EP-0054268-B2 PROCESS AND COMPOSITION FOR EXTRUSION OF ZIEGLER-NATTA CATALYZED OLEFIN POLYMERS UNION CARBIDE CORPORATION (US) 1987-12-02 EP disclosed
EP-0091613-B1 ETHYLENE POLYMER COMPOSITION HAVING IMPROVED TRANSPARENCY UNION CARBIDE CORPORATION (US) 1987-09-02 EP disclosed
EP-0054268-B1 PROCESS AND COMPOSITION FOR EXTRUSION OF ZIEGLER-NATTA CATALYZED OLEFIN POLYMERS UNION CARBIDE CORPORATION (US) 1985-01-09 EP disclosed
EP-0091613-A1 Ethylene polymer composition having improved transparency UNION CARBIDE CORPORATION (US) 1983-10-19 EP disclosed
US-4410649-A DIBENZYLIDENE SORBITOL, FATTY AMINE UNION CARBIDE CORPORATION (US) 1983-10-18 US disclosed
EP-0054268-A1 Process and composition for extrusion of Ziegler-Natta catalyzed olefin polymers UNION CARBIDE CORPORATION (US) 1982-06-23 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 (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-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AQP1, AQP3, AQP4 S1PR2 3344/4885S1PR1 3319/4885S1PR3 2531/4885
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AQP1, AQP4, AQP3 S1PR2 4527/4885S1PR1 4514/4885S1PR3 4429/4885

“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.