SCHEMBL4420717

SCHEMBL4420717

C=CC(=O)NCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL664690 0.98 CA12 (0.53) CA12CA1CA2CA9NPC1
SCHEMBL18231989 0.89 MAPK1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL18912608 0.87 MAPK1 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL28719503 0.84 MEN1 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL22343645 0.84 HDAC2 (0.49) CA12CA1CA2CA9NPC1
SCHEMBL22710006 0.83 CA12 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL730168 0.82 HSD17B10 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL793119 0.82 MEN1 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL3366797 0.82 MAPK1 (0.41) CA12CA1CA2CA9NPC1
SCHEMBL3159614 0.81 CA12 (0.54) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160334364-A1 GEL FOR USE IN POLYACRYLAMIDE GEL ELECTROPHORESIS AND ELECTROPHORESIS DEVICE USING SAID GEL SHARP KABUSHIKI KAISHA (JP) 2016-11-17 US disclosed
EP-2124869-B1 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD OREAL (FR) 2012-08-15 EP disclosed
US-20100166844-A1 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD L'OREAL S.A. (FR) 2010-07-01 US disclosed
US-20100166844-A1 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD L'OREAL S.A. (FR) 2010-07-01 US disclosed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
WO-2008104698-A2 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2008-09-04 WO disclosed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
EP-0415055-B1 Water-soluble pressure-sensitive skin adhesive ROEHM GMBH (DE) 1994-12-14 EP disclosed
US-5133970-A WATER-SOLUBLE PRESSURE-SENSITIVE SKIN-ADHESIVE AND USE THEREOF ROHM GMBH CHEMISCHE FABRIK (DE) 1992-07-28 US disclosed
EP-0415055-A2 Water-soluble pressure-sensitive skin adhesive RÖHM GMBH (DE) 1991-03-06 EP disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 US disclosed
US-4112207-A Radiation-curable polymers bearing quaternary nitrogen groups THE DOW CHEMICAL COMPANY (US) 1978-09-05 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 US disclosed
US-3935182-A Water-soluble quaternary ammonium heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1976-01-27 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-20100166844-A1 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD KRT18, KRTCAP2, DSG1 CA12 1542/4885CA1 3980/4885CA2 2663/4885

“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.