SCHEMBL3076652

SCHEMBL3076652

NCCCNCCCNCCN

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.86
CA6 P23280 5/20 0.86
CA7 P43166 5/20 0.86
CA9 Q16790 5/20 0.86
CA14 Q9ULX7 5/20 0.86
CA5B Q9Y2D0 5/20 0.86
CA2 P00918 4/20 0.86
CA4 P22748 4/20 0.86
CA5A P35218 4/20 0.86
CA3 P07451 3/20 0.86
ALOX15 P16050 3/20 0.80
CASP2 P42575 2/20 0.80
F13A1 P00488 2/20 0.80
CYP1A2 P05177 2/20 0.80
THPO P40225 2/20 0.80
MEN1 O00255 2/20 0.80
RECQL P46063 2/20 0.80
KMT2A Q03164 2/20 0.80
CYP2C19 P33261 2/20 0.80
HSD17B10 Q99714 1/20 0.80

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
SCHEMBL31129279 0.97 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL11365907 0.97 CASP2 (0.87) CA12CA6CA7CA9CA14
SCHEMBL19257489 0.97 CASP2 (0.87) CA12CA6CA7CA9CA14
SCHEMBL869794 0.96 CA12 (0.86) CA12CA6CA7CA9CA14
SCHEMBL6251209 0.96 CA12 (0.86) CA12CA6CA7CA9CA14
SCHEMBL15722 0.96
SCHEMBL870789 0.96 CA12 (0.86) CA12CA6CA7CA9CA14
Norspermidine SCHEMBL7943991 0.96 CA12 (0.86) CA12CA6CA7CA9CA14
SCHEMBL561809 0.96 CA12 (0.86) CA12CA6CA7CA9CA14
SCHEMBL869672 0.96 CA12 (0.86) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023089183-A1 A COMPOSITION COMPRISING A THERAPEUTICALLY ACTIVE AGENT PACKAGED WITHIN A DRUG DELIVERY VEHICLE BRANCA BUNUS LIMITED (IE) 2023-05-25 WO disclosed
EP-2220176-B1 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) 2018-09-19 EP disclosed
US-9758885-B2 Composition for metal electroplating comprising leveling agent BASF SE (DE) 2017-09-12 US disclosed
US-9550725-B2 Lipophilic polyalkylenepolyamines by homogeneously catalyzed alcohol amination BASF SE (DE) 2017-01-24 US disclosed
US-20150284865-A1 COMPOSITION FOR METAL ELECTROPLATING COMPRISING LEVELING AGENT BASF SE (DE) 2015-10-08 US disclosed
US-20140305339-A1 LIPOPHILIC POLYALKYLENEPOLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION BASF SE (DE) 2014-10-16 US disclosed
US-20130264213-A1 COMPOSITION FOR METAL ELECTROPLATING COMPRISING LEVELING AGENT BASF SE (DE) 2013-10-10 US disclosed
US-20110294977-A1 POLYALKYLENEPOLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION BASF SE (DE) 2011-12-01 US disclosed
US-20100330380-A1 Organosilane Coating Compositions and Use Thereof DUBLIN CITY UNIVERSITY (IE) 2010-12-30 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-6376584-B1 OXIDATION RESISTANCE, HEAT RESISTANCE, PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2002-04-23 US disclosed
EP-0053571-B1 PURIFICATION OF HYDROCARBONS BY TREATMENT WITH POLYAMINES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-02-22 EP disclosed
US-4401838-A Purification of hydrocarbons by treatment with polyamines THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-08-30 US disclosed
EP-0053571-A1 Purification of hydrocarbons by treatment with polyamines THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-06-09 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-20140305339-A1 LIPOPHILIC POLYALKYLENEPOLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION ADH5, PNMT, ADH1A CA12 4597/4885CA6 4642/4885CA7 4449/4885
US-20110294977-A1 POLYALKYLENEPOLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION PARG, ADH1C, ADH5 CA12 2987/4885CA6 4614/4885CA7 3834/4885

“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.