SCHEMBL4536095

SCHEMBL4536095

NCCC(N)CCCC(N)CCN

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 1/20 0.36
NFKB1 P19838 1/20 0.31
GSR P00390 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3487034 0.93 ENPEP (0.36) ENPEPNFKB1GSRALDH1A1
SCHEMBL14534164 0.91 ENPEP (0.32) ENPEP
SCHEMBL12642855 0.90
SCHEMBL163475 0.90
SCHEMBL30431198 0.90 TRPV1 (0.39) ALDH1A1
SCHEMBL289810 0.89
SCHEMBL708436 0.87 GSR (0.44) ENPEPNFKB1GSRALDH1A1
SCHEMBL15208926 0.86 NFKB1 (0.40) ENPEPNFKB1GSR
SCHEMBL10937040 0.85 GABRR1 (0.30)
SCHEMBL2233938 0.85 GABRR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116367909-A Metal-organic frameworks for carbon dioxide capture 埃克森美孚技术与工程公司 2023-06-30 CN claimed
WO-2024155523-A1 CO2 SORPTION WITH OXIDATION RESISTANT AMINES ExxonMobil Technology and Engineering Company (US) 2024-07-25 WO disclosed
EP-4355803-A1 POLYAMINES AS ALDEHYDE SCAVENGERS BASF SE (DE) 2024-04-24 EP disclosed
EP-4168472-B1 AMPHIPHILIC ALKOXYLATED POLYETHYLENE/-PROPYLENE IMINE COPOLYMERS FOR MULTI-BENEFIT DETERGENT FORMULATIONS BASF SE (DE) 2024-04-03 EP disclosed
CN-116367909-A Metal-organic frameworks for carbon dioxide capture 埃克森美孚技术与工程公司 2023-06-30 CN disclosed
CN-115698132-A Amphiphilic alkoxylated polyethylene/propylene imine copolymers for use in multi-effect detergent formulations 巴斯夫欧洲公司 2023-02-03 CN disclosed
WO-2022263229-A1 POLYAMINES AS ALDEHYDE SCAVENGERS BASF SE (DE) 2022-12-22 WO disclosed
EP-2638003-B1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO HIGH MOLECULAR WEIGHT POLYALKYLENEAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2019-11-20 EP disclosed
US-9944534-B2 Reducing aluminosilicate scale in the Bayer process ECOLAB USA INC. (US) 2018-04-17 US disclosed
US-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process NALCO COMPANY (US) 2017-02-23 US disclosed
US-9487408-B2 Reducing aluminosilicate scale in the bayer process NALCO COMPANY (US) 2016-11-08 US disclosed
US-9000217-B2 Transamination of nitrogen-containing compounds to high molecular weight polyalkyleneamines DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-07 US disclosed
EP-2638003-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO HIGH MOLECULAR WEIGHT POLYALKYLENEAMINES Dow Global Technologies LLC (US) 2013-09-18 EP disclosed
WO-2013126683-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS NALCO COMPANY (US) 2013-08-29 WO disclosed
US-20130225864-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO HIGH MOLECULAR WEIGHT POLYALKYLENEAMINES DOW GLOBAL TECHNOLOGIES LLC 2013-08-29 US disclosed
US-20120148462-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS ECOLAB USA INC. 2012-06-14 US disclosed
WO-2012064484-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO HIGH MOLECULAR WEIGHT POLYALKYLENEAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2012-05-18 WO disclosed
EP-0162413-A2 Polyamine for use as a medicine in the treatment of neoplasms MERRELL DOW PHARMACEUTICALS INC. (US) 1985-11-27 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-20130225864-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO HIGH MOLECULAR WEIGHT POLYALKYLENEAMINES PARG, PNMT, HNMT ENPEP 1063/4885NFKB1 2980/4885GSR 3726/4885
US-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process DSP, SOST, SORD ENPEP 3715/4885NFKB1 1313/4885GSR 3678/4885

“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.