SCHEMBL21143018

SCHEMBL21143018

CCCCCCN(C)CC(C)CCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.50
DNM1 Q05193 5/20 0.44
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
LMNA P02545 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
SCHEMBL21105969 0.96 GGPS1 (0.50) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL19264421 0.94 GGPS1 (0.44) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL21418477 0.92 GGPS1 (0.46) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL19752131 0.91 GGPS1 (0.40) GGPS1DNM1PLA2G1BPLA2G2AACE2
SCHEMBL25015272 0.90 DNM1 (0.56) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL25684871 0.89 GGPS1 (0.47) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL24849421 0.88 PLA2G1B (0.42) GGPS1DNM1PLA2G1BPLA2G2AACE2
SCHEMBL29306455 0.88 LMNA (0.41) GGPS1DNM1PLA2G1BPLA2G2ALMNA
SCHEMBL13811827 0.87 GGPS1 (0.36) GGPS1DNM1PLA2G1BPLA2G2AACE2
SCHEMBL12663272 0.85 PLA2G1B (0.39) GGPS1DNM1PLA2G1BPLA2G2AACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961180-B2 Branched trialkyl amine oxides EASTMAN CHEMICAL COMPANY (US) 2021-03-30 US disclosed
US-10640452-B2 Branched trialkyl quaternary ammonium compounds EASTMAN CHEMICAL COMPANY (US) 2020-05-05 US disclosed
US-20190218169-A1 BRANCHED TRIALKYL AMINE OXIDES EASTMAN CHEMICAL COMPANY (US) 2019-07-18 US disclosed
US-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE EASTMAN CHEMICAL COMPANY (US) 2019-07-18 US disclosed
US-20190218171-A1 BRANCHED TRIALKYL QUATERNARY AMMONIUM COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2019-07-18 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 (5 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-20190218169-A1 BRANCHED TRIALKYL AMINE OXIDES C5, OR10J3, ALKBH5 GGPS1 2231/4885DNM1 4865/4885S1PR2 1363/4885
US-20190218171-A1 BRANCHED TRIALKYL QUATERNARY AMMONIUM COMPOUNDS ELOVL3, ELOVL5, ALK GGPS1 2486/4885DNM1 1704/4885S1PR2 1453/4885
US-10640452-B2 Branched trialkyl quaternary ammonium compounds BCKDK, PFKL, GLUL GGPS1 1928/4885DNM1 2807/4885S1PR2 4488/4885
US-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE ACADM, ALK, FASN GGPS1 1291/4885DNM1 4242/4885S1PR2 595/4885
US-10961180-B2 Branched trialkyl amine oxides C5, OR10J3, ALKBH5 GGPS1 2231/4885DNM1 4865/4885S1PR2 1363/4885

“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.