SCHEMBL4654425

SCHEMBL4654425

CCNCCCCCCN(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.53
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
KDM1A O60341 5/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM2 P08172 1/20 0.46
TSHR P16473 2/20 0.46
CACNA2D1 P54289 1/20 0.38
SAT1 P21673 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SIGMAR1 Q99720 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
SCHEMBL11828086 1.00 PAOX (0.53) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL27550823 1.00 PAOX (0.53) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL1268894 0.98 CYP2C19 (0.55) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL1267826 0.90 CYP2C19 (0.52) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL6656872 0.90 PAOX (0.62) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL756164 0.90 PAOX (0.62) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL6661756 0.90 PAOX (0.62) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL755265 0.90 PAOX (0.62) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL11808552 0.89 TSHR (0.52) PAOXCYP2C19CYP1A2KDM1AMEN1
SCHEMBL6656746 0.87 PAOX (0.59) PAOXCYP2C19CYP1A2KDM1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN claimed
CN-109429496-B Thermosetting resin composition, and prepreg and substrate using same 可隆工业株式会社 2022-02-11 CN disclosed
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN disclosed
US-10774173-B2 Thermosetting resin composition, and prepreg and substrate using same KOLON INDUSTRIES, INC. (KR) 2020-09-15 US disclosed
US-20190153151-A1 THERMOSETTING RESIN COMPOSITION, AND PREPREG AND SUBSTRATE USING SAME KOLON INDUSTRIES, INC. (KR) 2019-05-23 US disclosed
EP-1306369-B1 NOVEL SULFUR COMPOUNDS AND INTERMOLECULAR COMPOUNDS CONTAINING THE SAME AS THE COMPONENT COMPOUND NIPPON SODA CO (JP) 2008-11-05 EP disclosed
US-6927309-B2 Sulfur compounds and intermolecular compounds containing the same as the component compounds NIPPON SODA CO., LTD. (JP) 2005-08-09 US disclosed
US-20040176643-A1 Novel sulfur compounds and intermolecular compounds containing the same as the component compounds NIPPON SODA CO., LTD. (JP) 2004-09-09 US disclosed
US-6740782-B2 SUCH AS CLATHRATE 1,1,2,2-TETRAKIS(4-CHLOROSULFONYL-PHENYL)ETHYLENE; FOR IMPROVED PERFORMANCE DURING SEPARATION OF SUBSTANCES, CHEMICAL STABILIZATION, NON-VOLATILIZATION, SUSTAINED RELEASE, AND PULVERIZATION NIPPON SODA CO., LTD. (JP) 2004-05-25 US disclosed
US-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization NIPPON SODA CO., LTD. (JP) 2003-07-10 US disclosed
EP-1306369-A1 NOVEL SULFUR COMPOUNDS AND INTERMOLECULAR COMPOUNDS CONTAINING THE SAME AS THE COMPONENT COMPOUND NIPPON SODA CO., LTD. (JP) 2003-05-02 EP disclosed
US-4861931-A Process for producing 5-alkylidenenorbornene JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-29 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-20040176643-A1 Novel sulfur compounds and intermolecular compounds containing the same as the component compounds CBS, TST, ABCB7 PAOX 2874/4885CYP2C19 2975/4885CYP1A2 2233/4885
US-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization CBS, CCT4, TST PAOX 2113/4885CYP2C19 1394/4885CYP1A2 818/4885

“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.