SCHEMBL3720957

SCHEMBL3720957

CCCC(N)[N+](C)(C)C(C)(C)C(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CA2 P00918 2/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL9445630 0.81 TSHR (0.40) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL8692682 0.70 CA2 (0.47) NFKB1CA2
SCHEMBL9007212 0.69 CA2 (0.42) TSHRCA2GRIK1GRIK2ALDH1A1
SCHEMBL4617830 0.68 TSHR (0.36) CYP3A4TSHRNFKB1NPSR1
SCHEMBL9243227 0.68 CA2 (0.38) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL6277281 0.68 BBOX1 (0.33) CYP3A4TSHRNFKB1NPSR1ALDH1A1
SCHEMBL15988546 0.68 CA2 (0.38) CA2CPT2CPT1A
SCHEMBL9286656 0.66 CA2 (0.39) NFKB1CA2CPT2CPT1A
Acetic Acid SCHEMBL6314424 0.66 CYP3A4 (0.33) CYP3A4TSHRNFKB1NPSR1CHRM1
SCHEMBL278213 0.66 TSHR (0.36) CYP3A4TSHRNFKB1NPSR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461258-B2 Method of producing amino acid-modified organopolysiloxane emulsions DOW CORNING TORAY COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-20100310496-A1 METHOD OF PRODUCING AMINO ACID-MODIFIED ORGANOPOLYSILOXANE EMULSIONS DOW TORAY CO., LTD. (JP) 2010-12-09 US disclosed
EP-2231753-A1 METHOD OF PRODUCING AMINO ACID-MODIFIED ORGANOPOLYSILOXANE EMULSIONS Dow Corning Toray Co., Ltd. (JP) 2010-09-29 EP disclosed
WO-2009084711-A1 METHOD OF PRODUCING AMINO ACID-MODIFIED ORGANOPOLYSILOXANE EMULSIONS DOW CORNING TORAY CO., LTD. (JP) 2009-07-09 WO disclosed
US-7373977-B1 Process for oil recovery employing surfactant gels OIL CHEM TECHNOLOGIES (US) 2008-05-20 US disclosed
US-20070142235-A1 Process for oil recovery using surfactant gels Belger, Paul (US) 2007-06-21 US disclosed
EP-0785983-B1 GLASS CLEANING COMPOSITION COLGATE PALMOLIVE CO (US) 1998-12-23 EP disclosed
EP-0633308-B1 High foaming nonionic surfactant based liquid detergent COLGATE PALMOLIVE CO (US) 1998-10-21 EP disclosed
EP-0785983-A1 GLASS CLEANING COMPOSITION Colgate-Palmolive Company (US) 1997-07-30 EP disclosed
EP-0638638-B1 High foaming nonionic surfactant based liquid detergent COLGATE PALMOLIVE CO (US) 1997-06-18 EP disclosed
US-5602069-A AQUEOUS MIXTURE COMPRISING A POLYETHER OR A POLYETHERSILOXANE COPOLYMER; NONSMEARING COLGATE-PALMOLIVE CO. (US) 1997-02-11 US disclosed
EP-0695168-B1 SURFACTANT COMPOSITION CONTAINING A SODIUM POLYOXYETHYLENE ALKYL ETHER SULFATE SURFACTANT AND A SULPHOSUCCINATE SURFACTANT UNILEVER PLC (GB) 1996-12-11 EP disclosed
US-5556577-A High foaming nonionic surfactant based liquid detergent COLGATE-PALMOLIVE CO. (US) 1996-09-17 US disclosed
WO-1996012005-A1 GLASS CLEANING COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 1996-04-25 WO disclosed
EP-0638638-A1 High foaming nonionic surfactant based liquid detergent Colgate-Palmolive Company (US) 1995-02-15 EP disclosed
US-5389304-A Mildness to human skin COLGATE PALMOLIVE CO. (US) 1995-02-14 US disclosed
US-5387375-A Also contains anionic surfactant, betaine, dialkyl sulfosuccinate; mildness to skin COLGATE PALMOLIVE CO. (US) 1995-02-07 US disclosed
EP-0633308-A1 High foaming nonionic surfactant based liquid detergent Colgate-Palmolive Company (US) 1995-01-11 EP disclosed
EP-0119641-A1 Aqueous alkaline cleaning composition UNILEVER N.V. (NL) 1984-09-26 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 (1 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-20100310496-A1 METHOD OF PRODUCING AMINO ACID-MODIFIED ORGANOPOLYSILOXANE EMULSIONS DAO, BCAT2, IDUA CYP3A4 3224/4885TSHR 4009/4885NFKB1 3235/4885

“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.