SCHEMBL2632344

SCHEMBL2632344

CCOc1ccc(C(N)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
TYR P14679 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 2/20 0.44
HIF1A Q16665 1/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NQO1 P15559 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 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
SCHEMBL16351174 0.90 SLC2A1 (0.46) BCHETYRACHELMNATSHR
SCHEMBL4010346 0.89 CA12 (0.48) BCHETYRACHEKMT2AMAPT
SCHEMBL16450355 0.88 LMNA (0.44) BCHETYRACHELMNAHIF1A
SCHEMBL17189617 0.87 HTR2A (0.42) BCHETYRACHEKMT2AMAPT
SCHEMBL4300089 0.85 ADRA1A (0.40) BCHETYRACHELMNATSHR
SCHEMBL14416299 0.84 THRA (0.47) BCHETYRACHELMNATSHR
SCHEMBL7524928 0.84 THRA (0.47) BCHETYRACHELMNAHIF1A
SCHEMBL3145891 0.84 THRA (0.57) BCHETYRACHELMNATSHR
SCHEMBL3507489 0.84 THRA (0.57) BCHETYRACHELMNATSHR
SCHEMBL3507493 0.84 THRA (0.57) BCHETYRACHELMNATSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137489-A1 Process for the Synthesis of Therapeutic Peptides IPSEN MANUFACTURING IRELAND LIMITED (IE) 2017-05-18 US disclosed
US-9475837-B2 Process for the synthesis of therapeutic peptides IPSEN MANUFACTURING IRELAND LIMITED (IE) 2016-10-25 US disclosed
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-20150045534-A1 Process for the Synthesis of Therapeutic Peptides IPSEN MANUFACTURING IRELAND LIMITED (IE) 2015-02-12 US disclosed
WO-2013093639-A1 PROCESS FOR THE SYNTHESIS OF THERAPEUTIC PEPTIDES IPSEN MANUFACTURING IRELAND LIMITED (IE) 2013-06-27 WO disclosed
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 US disclosed
US-8188217-B2 2012-05-29 US disclosed
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 US disclosed
US-8124726-B2 Contoxin analogues and methods for synthesizing same MONASH UNIVERSITY (AU) 2012-02-28 US disclosed
US-7887845-B2 Particle of a solid dispersion composed of a water soluble polymer and etravirine or salt thereof; etravirine FDA Orange book listed patent JANSSEN PHARMACEUTICA NV (BE) 2011-02-15 US disclosed
US-20100172970-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2010-07-08 US disclosed
US-7745573-B2 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2010-06-29 US disclosed
US-7741280-B2 Multimeric molecules, the preparation method thereof and use of same for the preparation of medicaments CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-22 US disclosed
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds MONASH UNIVERSITY (AU) 2010-02-11 US disclosed
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same MONASH UNIVERSITY (AU) 2010-01-28 US disclosed
US-7538190-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2009-05-26 US disclosed
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2007-08-23 US disclosed
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 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 (10 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-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 BCHE 2320/4885TYR 1668/4885ACHE 2482/4885
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same VIP, CANX, PDIA5 BCHE 340/4885TYR 2022/4885ACHE 1085/4885
US-20150045534-A1 Process for the Synthesis of Therapeutic Peptides MAX, VIP, SFPQ BCHE 2506/4885TYR 2578/4885ACHE 4732/4885
US-20170137489-A1 Process for the Synthesis of Therapeutic Peptides NPEPPS, DNPEP, QPCT BCHE 2291/4885TYR 970/4885ACHE 4820/4885
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS BCHE 266/4885TYR 2660/4885ACHE 1083/4885
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 BCHE 896/4885TYR 1820/4885ACHE 1477/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 BCHE 896/4885TYR 1820/4885ACHE 1477/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 BCHE 2320/4885TYR 1668/4885ACHE 2482/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA BCHE 640/4885TYR 3944/4885ACHE 2693/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 BCHE 3039/4885TYR 4353/4885ACHE 2811/4885

“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.