SCHEMBL1064757

SCHEMBL1064757

CCCCCCCCCCCCCCCCCC(CCCC)C(N)(CCCC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
DNM1 Q05193 2/20 0.41
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 2/20 0.38
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.35
SMPD1 P17405 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL1064042 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL1065227 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL331828 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL1063839 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL16465044 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL1063202 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL16390875 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL332122 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL2406522 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA
SCHEMBL332365 1.00 FDPS (0.46) FDPSDNM1OPRM1SPHK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272800-B1 Detoxification of water containing onium compounds BAKER HUGHES INC (US) 2015-01-21 EP disclosed
EP-2272800-A1 Detoxification of water containing onium compounds Baker Hughes Incorporated (US) 2011-01-12 EP disclosed
EP-1766183-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS Baker Hughes Incorporated (US) 2007-03-28 EP disclosed
WO-2005116399-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS BAKER HUGHES INCORPORATED (US) 2005-12-08 WO disclosed
US-20050261529-A1 Enhancement modifiers for gas hydrate inhibitors BAKER HUGHES INCORPORATED 2005-11-24 US disclosed
EP-1362160-B1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INC (US) 2005-09-28 EP disclosed
US-6841089-B2 Detoxification of onium compounds BAKER HUGHES INCORPORATED (US) 2005-01-11 US disclosed
EP-1456134-A1 DETOXIFICATION OF QUATERNARY ONIUM COMPOUNDS WITH POLYCARBOXYLATE CONTAINING COMPOUND BAKER HUGHES INCORPORATED (US) 2004-09-15 EP disclosed
EP-1456129-A2 DETOXIFICATION OF WATER CONTAINING ONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2004-09-15 EP disclosed
US-20040144732-A1 Adding to the aqueous solution an additive sufficient to reduce the toxicity of the onium compound, where the treated onium compound partitions into a non-aqueous phase; removing the non-aqueous phase from the aqueous solution BAKER HUGHES INCORPORATED 2004-07-29 US disclosed
US-6723249-B2 NEUTRALIZATION WITH ACID, SULFONATE BAKER HUGHES INCORPORATED 2004-04-20 US disclosed
EP-1362160-A1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INCORPORATED (US) 2003-11-19 EP disclosed
US-6620330-B2 Removing pollutants from waste water streams BAKER HUGHES INCORPORATED 2003-09-16 US disclosed
US-20030146173-A1 Detoxification of quaternary onium compounds with polycarboxylate-containing compound BAKER HUGHES INCORPORATED 2003-08-07 US disclosed
US-6596911-B2 Providing a mixture comprising water and a hydrocarbon; and contacting with onium compound and amine salt for inhibiting the formation of the hydrocarbon hydrates BAKER HUGHES INCORPORATION 2003-07-22 US disclosed
US-20030116507-A1 Detoxification of onium compounds BAKER HUGHES INCORPORATED 2003-06-26 US disclosed
WO-2003051781-A1 DETOXIFICATION OF QUATERNARY ONIUM COMPOUNDS WITH POLYCARBOXYLATE CONTAINING COMPOUND BAKER HUGHES INCORPORATED (US) 2003-06-26 WO disclosed
WO-2003051776-A2 DETOXIFICATION OF WATER CONTAINING ONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2003-06-26 WO disclosed
WO-2002066785-A1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INCORPORATED (US) 2002-08-29 WO disclosed
US-20020038063-A1 Composition and method for inhibition of formation of gas hydrates BAKER HUGHES INCORPORATED 2002-03-28 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 (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-20050261529-A1 Enhancement modifiers for gas hydrate inhibitors AQP1, API5, IWS1 FDPS 4373/4885DNM1 1232/4885OPRM1 2465/4885
US-20020038063-A1 Composition and method for inhibition of formation of gas hydrates HDHD5, SHH, NOTUM FDPS 1626/4885DNM1 1836/4885OPRM1 1282/4885

“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.