SCHEMBL1030950

SCHEMBL1030950

COc1ccc(NCCNc2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 1.00
MAPT P10636 6/20 1.00
ALDH1A1 P00352 2/20 0.68
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
APP P05067 1/20 0.59
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL3021455 0.91 GAA (0.83) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL11525907 0.91 MAPT (0.83) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL11526032 0.91 MAPT (0.83) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL11696192 0.89 GAA (0.80) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL613598 0.89 GAA (0.79) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL16160935 0.89 GAA (0.79) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL3021452 0.88 GAA (0.77) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL21242197 0.88 GAA (0.77) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL14020891 0.88 GAA (0.77) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL2088820 0.87 GAA (0.76) GAAMAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-12-28 US claimed
US-8613902-B2 Hydrogen production using ammonia borane LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-12-24 US claimed
EP-2276700-A1 HYDROGEN PRODUCTION USING AMMONIA BORANE Los Alamos National Security, LLC (US) 2011-01-26 EP claimed
US-20090274613-A1 Hydrogen Production Using Ammonia Borane LOS ALAMOS NATIONAL SECURITY, LLC (US) 2009-11-05 US claimed
WO-2009124169-A1 HYDROGEN PRODUCTION USING AMMONIA BORANE LOS ALAMOS NATIONAL SECURITY, LLC (US) 2009-10-08 WO claimed
US-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-12-28 US disclosed
US-8722897-B2 Metal complexes of thiourea and derivatives as metal delivering anti-cancer and anti-inflammatory agents GOLDPORP PHARMA LIMITED (CN) 2014-05-13 US disclosed
US-8613902-B2 Hydrogen production using ammonia borane LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-12-24 US disclosed
US-20120255898-A1 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH & DEVELOPMENT, INC. (US) 2012-10-11 US disclosed
US-8147735-B2 Semipermeable polymers and method for producing same ELTRON RESEARCH & DEVELOPMENT, INC. (US) 2012-04-03 US disclosed
US-8147735-B2 Semipermeable polymers and method for producing same ELTRON RESEARCH & DEVELOPMENT, INC. (US) 2012-04-03 US disclosed
EP-2276700-A1 HYDROGEN PRODUCTION USING AMMONIA BORANE Los Alamos National Security, LLC (US) 2011-01-26 EP disclosed
EP-0280373-B1 PROCESS FOR THE DIMERIZATION OF OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-08-12 EP disclosed
EP-0206367-B1 PROCESS FOR THE DIMERIZATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-27 EP disclosed
US-4859646-A Process for the dimerization of olefins SHELL OIL COMPANY (US) 1989-08-22 US disclosed
US-4806647-A PALLADIUM(II) COMPOUND, CHELATE LIGAND, PROTONIC ACID AND SALT SHELL OIL COMPANY (US) 1989-02-21 US disclosed
EP-0170311-B1 PROCESS FOR THE DIMERIZATION OF OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-02-01 EP disclosed
US-4692548-A DIMERIZATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SHELL OIL COMPANY (US) 1987-09-08 US disclosed
US-4634793-A PALLADIUM CATALYST SYSTEM SHELL OIL COMPANY (US) 1987-01-06 US disclosed
EP-0206367-A2 Process for the dimerization of ethylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-12-30 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-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT SARS1, ZC3HAV1, ZC3HAV1L GAA 3763/4885MAPT 4702/4885ALDH1A1 2894/4885
US-20090274613-A1 Hydrogen Production Using Ammonia Borane NPM1, SSB, MLX GAA 2758/4885MAPT 3071/4885ALDH1A1 4354/4885

“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.