SCHEMBL503505

SCHEMBL503505

CN(C)C(CCO)NCCNCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 3/20 0.39
CA12 O43570 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
LMNA P02545 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA1 P00915 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL9280225 0.87 CYP2C19 (0.48) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL10537772 0.76 LMNA (0.33) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL11905533 0.73 CA12 (0.46) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL7802925 0.72 CYP2C9 (0.33) CYP2C9CYP2C19TDP1
Alcohol SCHEMBL9008042 0.71 CA12 (0.39) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL10506433 0.71 TDP1 (0.39) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL28316132 0.69 CA12 (0.46) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL102185 0.69 CA12 (0.46) CYP2C9CYP2C19TDP1CA12CA6
Trimethylammonium SCHEMBL27795493 0.69 CYP2C19 (0.54) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL8987402 0.69 CA12 (0.41) CYP2C9CYP2C19TDP1CA12CA6

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 1029 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758490-B2 Nanocapsules containing microemulsions LIPOTEC, S.A. (ES) 2020-09-01 US claimed
US-20200115662-A1 POLYELECTROLYTE COMPLEXES CLOROX CO (US) 2020-04-16 US claimed
US-10563156-B2 Polyelectrolyte complexes THE CLOROX COMPANY (US) 2020-02-18 US claimed
US-20190136163-A1 POLYELECTROLYTE COMPLEXES CLOROX CO (US) 2019-05-09 US claimed
US-10208275-B2 Polyelectrolyte complexes THE CLOROX COMPANY (US) 2019-02-19 US claimed
US-20180320115-A1 POLYELECTROLYTE COMPLEXES CLOROX CO (US) 2018-11-08 US claimed
US-10066196-B2 Polyelectrolyte complexes THE CLOROX COMPANY (US) 2018-09-04 US claimed
EP-2536815-B1 USE OF LIPOSOMES FOR THE TREATMENT OF TEXTILE MATERIALS LIPOTEC SA (ES) 2018-07-11 EP claimed
US-20180023044-A1 POLYELECTROLYTE COMPLEXES THE CLOROX COMPANY (US) 2018-01-25 US claimed
EP-3272398-A1 LIPID NANOPARTICLE CAPSULES Lipotec S.A. (ES) 2018-01-24 EP claimed
US-6878379-B2 Cosmetic preparations COGNIS DEUTSCHLAND GMBH & CO., KG (DE) 2005-04-12 US claimed
US-20050025732-A1 Cosmetic preparations ANSMANN ACHIM (DE) 2005-02-03 US claimed
US-20050025733-A1 Pearlescent conditioning shampoos containing long chain dialkyl ether or ester, cationic polymer and betaine; cleaning and degreasing; mild to skin and hair; storage stability; antistatic effect ANSMANN ACHIM (DE) 2005-02-03 US claimed
EP-0941060-B1 COSMETIC PREPARATIONS COGNIS DEUTSCHLAND GMBH (DE) 2003-04-02 EP claimed
EP-0776657-B1 Cosmetic and/or pharmaceutical emulsions COGNIS DEUTSCHLAND GMBH (DE) 2003-03-26 EP claimed
EP-1189990-B1 UTILIZATION OF EMULSIFIERS COGNIS DEUTSCHLAND GMBH (DE) 2003-02-26 EP claimed
US-20020055451-A1 Detergent tablets KISCHKEL DITMAR (DE) 2002-05-09 US claimed
US-6365168-B1 PEARLESCENT COMPOSITION COMPRISING DIALKYL ETHER, CATIONIC POLYMER, AND ALKYL AND/OR ALKENYL OLIGOGLYCOSIDE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-02 US claimed
US-20020012686-A1 Cosmetic formulations COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2002-01-31 US claimed
EP-0768863-B1 COSMETICS AGENTS HENKEL KGAA (DE) 1999-10-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050025733-A1 Pearlescent conditioning shampoos containing long chain dialkyl ether or ester, cationic polymer and betaine; cleaning and degreasing; mild to skin and hair; storage stability; antistatic effect DEGS1, POLR1C, BCL2L10 CYP2C9 3443/4885CYP2C19 4073/4885TDP1 2664/4885
US-20020012686-A1 Cosmetic formulations DEGS1, SGMS2, SGMS1 CYP2C9 2322/4885CYP2C19 2390/4885TDP1 3076/4885
US-20050025732-A1 Cosmetic preparations MGLL, FFAR1, DAGLA CYP2C9 1302/4885CYP2C19 1014/4885TDP1 2199/4885

“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.