SCHEMBL690606

SCHEMBL690606

[CH2]CC#CC(C#CCCCCC)CC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
PTPN7 P35236 5/20 0.33
HMGCR P04035 4/20 0.33
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL697418 0.88
SCHEMBL7064860 0.76 TSHR (0.34) TSHR
SCHEMBL157189 0.75
SCHEMBL3040799 0.75 TSHR (0.37) TSHR
SCHEMBL2120698 0.74 PTPN7 (0.38) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL9514818 0.73 PTPN7 (0.50) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL9515428 0.73 PTPN7 (0.50) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL154494 0.73 PTPN7 (0.50) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL3866734 0.73 PTPN7 (0.50) TSHRPTPN7HMGCRRECQLTDP1
SCHEMBL1117101 0.73 PTPN7 (0.50) TSHRPTPN7HMGCRRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303243-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES LLC (US) 2016-10-20 US disclosed
US-9346845-B2 Anionic conjugates of glycosylated bacterial metabolite GLYCAN BIOSCIENCES LLC (US) 2016-05-24 US disclosed
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite Glycosynnovations Pty Ltd (AU) 2014-10-30 US disclosed
US-8791245-B2 Anionic conjugates of glycosylated bacterial metabolite Glycan Bioscience LLC (US) 2014-07-29 US disclosed
EP-2421877-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE Glycan Biosciences Pty Ltd (AU) 2012-02-29 EP disclosed
US-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2011-08-04 US disclosed
WO-2010037179-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2010-04-08 WO disclosed
US-7205333-B2 Therapy for influenza virus; inhaler BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-04-17 US disclosed
US-7101909-B2 Compound of a ligand of 2-methoxy methylester-6-fluoronaphthalene, an aryl ligand and a linker; each ligand domain capable of binding to a Ca++ channel THERAVANCE, INC. (US) 2006-09-05 US disclosed
US-7067620-B2 Antibacterial agents THERAVANCE, INC. (US) 2006-06-27 US disclosed
WO-1999064050-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999063992-A1 NOVEL CALCIUM CHANNEL DRUGS AND USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064045-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999063984-A1 NOVEL SODIUM CHANNEL DRUGS AND USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064038-A1 NOVEL ANALGESIC AGENTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064051-A1 NOVEL ANTIBACTERIAL COMPOUNDS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999051565-A9 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 1999-12-02 WO disclosed
WO-1999051565-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE, INC. (US) 1999-10-14 WO disclosed
WO-1999042476-A1 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE, INC. (US) 1999-08-26 WO 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 (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-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GNE, CD44, FUT5 TSHR 3687/4885PTPN7 1465/4885HMGCR 2793/4885
US-20160303243-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GNE, CD44, FUT5 TSHR 3687/4885PTPN7 1465/4885HMGCR 2793/4885
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite GNE, CD44, FUT5 TSHR 3687/4885PTPN7 1465/4885HMGCR 2793/4885

“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.