SCHEMBL12354598

SCHEMBL12354598

CN1CCCN2CCN(CCCN(C)CC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.37
CHKA P35790 3/20 0.35
LMNA P02545 2/20 0.35
NCF1 P14598 2/20 0.33
CA2 P00918 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
CYP1A2 P05177 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL4311811 1.00 TDP1 (0.38) TDP1KDM4EHTTCHKALMNA
SCHEMBL139241 1.00 TDP1 (0.38) TDP1KDM4EHTTCHKALMNA
SCHEMBL10179314 0.97 TDP1 (0.37) TDP1KDM4EHTTCHKALMNA
SCHEMBL5675656 0.97 TDP1 (0.37) TDP1KDM4EHTTCHKALMNA
SCHEMBL17787332 0.97 TDP1 (0.35) TDP1KDM4EHTTCHKALMNA
Hydrochloric Acid SCHEMBL3998282 0.94 TDP1 (0.35) TDP1KDM4EHTTCHKALMNA
Hydrochloric Acid SCHEMBL3998279 0.94 HTT (0.39) TDP1KDM4EHTTCHKALMNA
SCHEMBL4318497 0.89 CHKA (0.35) TDP1KDM4EHTTCHKALMNA
SCHEMBL29875104 0.87 KDM4E (0.32) TDP1KDM4EHTTCHKALMNA
SCHEMBL29874801 0.87 KDM4E (0.32) TDP1KDM4EHTTCHKALMNA

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
US-20110190188-A1 BLEACH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2011-08-04 US disclosed
US-20110143925-A1 CATALYSTS AND METHODS FOR CATALYTIC OXIDATION BUSCH DARYLE HADLEY 2011-06-16 US disclosed
US-20110077187-A1 BLEACH COMPOSITIONS THE PROCTOR & GAMBLE COMPANY (US) 2011-03-31 US disclosed
US-20100298197-A1 BLEACH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2010-11-25 US disclosed
US-20100210451-A1 CATALYSTS AND METHODS FOR CATALYTIC OXIDATION BUSCH DARYLE HADLEY 2010-08-19 US disclosed
US-20100190678-A1 BLEACH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2010-07-29 US disclosed
US-20100075888-A1 BLEACH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2010-03-25 US disclosed
US-20100041545-A1 CATALYSTS AND METHODS FOR CATALYTIC OXIDATION BUSCH DARYLE HADLEY 2010-02-18 US disclosed
US-20080167212-A1 Bleach compositions BUSCH DARYLE HADLEY 2008-07-10 US disclosed
US-20080125344-A1 Bleach compositions BUSCH DARYLE HADLEY 2008-05-29 US disclosed
US-20080125343-A1 Oxygen bleaching agent, and as transition-metal bleach catalyst a complex of a transition metal and a macropolycyclic rigid ligand; enhanced cleaning and bleaching in dishwasher or laundry detergents; e.g. 5,12-dimethyl-1,5,8,12-tetraazabicyclo[6.6.2]hexadecane manganese dichloride for example THE PROCTER & GAMBLE COMPANY 2008-05-29 US disclosed
US-20070093379-A1 Catalysts and methods for catalytic oxidation BUSCH DARYLE H 2007-04-26 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 (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-20070093379-A1 Catalysts and methods for catalytic oxidation DUOX1, DUOX2, LPO TDP1 3098/4885KDM4E 1605/4885HTT 4328/4885

“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.