SCHEMBL5084479

SCHEMBL5084479

COC(=O)CCc1c[c]ccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PTPN1 P18031 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL2642315 0.83 CYP4F2 (0.47) CA12CA7CA9CA14ALDH1A1
SCHEMBL27350489 0.83 TDP1 (0.40) CA12CA7CA14TDP1ALDH1A1
SCHEMBL28816810 0.81 ALDH1A1 (0.60) TDP1ALDH1A1LMNAKDM4EMAPT
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.80 TDP1 (0.66) CA12CA7CA9CA14TDP1
SCHEMBL5262959 0.80 HDAC2 (0.43) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL1419158 0.79 KEAP1 (0.61) ALDH1A1MAPT
SCHEMBL995727 0.79 CYP4F2 (0.46) CA12CA7CA9CA14TDP1
Methyl 3-Phenylpropanoate SCHEMBL168711 0.78 TDP1 (0.68) CA12CA7CA9CA14TDP1
SCHEMBL4819068 0.78 KDM4E (0.59) ALDH1A1LMNAKDM4EKMT2A
Methyl 3-Phenylpropanoate SCHEMBL1893702 0.77 TDP1 (0.66) CA12CA7CA9CA14TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP claimed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US claimed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US claimed
EP-2791120-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-10-22 EP claimed
WO-2013087643-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-06-20 WO claimed
US-7314511-B2 Metaloxyphthalocyanine compounds FUJIFILM IMAGING COLORANTS LIMITED (GB) 2008-01-01 US claimed
CN-100345912-C Metaloxyphthalocyanine compounds AVECIA LTD (GB) 2007-10-31 CN claimed
EP-1537181-B1 METALOXYPHTHALOCYANINE COMPOUNDS FUJIFILM IMAGING COLORANTS LTD (GB) 2007-05-02 EP claimed
US-20060000388-A1 Metaloxyphthalocyanine compounds AVECIA INKJET LIMITED (GB) 2006-01-05 US claimed
CN-1678691-A Metaloxyphthalocyanine compounds AVECIA LTD (GB) 2005-10-05 CN claimed
EP-1537181-A1 METALOXYPHTHALOCYANINE COMPOUNDS Avecia Limited (GB) 2005-06-08 EP claimed
WO-2004020529-A1 METALOXYPHTHALOCYANINE COMPOUNDS AVECIA LIMITED (GB) 2004-03-11 WO claimed
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US disclosed
EP-2791120-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-10-22 EP disclosed
US-20060000388-A1 Metaloxyphthalocyanine compounds AVECIA INKJET LIMITED (GB) 2006-01-05 US disclosed
CN-1678691-A Metaloxyphthalocyanine compounds AVECIA LTD (GB) 2005-10-05 CN disclosed
EP-1537181-A1 METALOXYPHTHALOCYANINE COMPOUNDS Avecia Limited (GB) 2005-06-08 EP disclosed
WO-2004020529-A1 METALOXYPHTHALOCYANINE COMPOUNDS AVECIA LIMITED (GB) 2004-03-11 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 (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-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof ALK, HRH3, HRH4 CA12 562/4885CA7 219/4885CA9 1104/4885

“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.