SCHEMBL14776802

SCHEMBL14776802

CCNC(=O)SCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
TSHR P16473 6/20 0.47
HDAC11 Q96DB2 5/20 0.47
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8309477 0.84 TSHR (0.44) GPR84PPARGPPARDPPARATSHR
SCHEMBL9264898 0.76 GPR84 (0.54) GPR84PPARGPPARDPPARATSHR
SCHEMBL3799172 0.74 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL14505535 0.74 FAAH (0.72) GPR84PPARGPPARDPPARATSHR
SCHEMBL12982690 0.74 FAAH (0.72) GPR84PPARGPPARDPPARATSHR
SCHEMBL1647647 0.74 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL15135057 0.74 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL3905981 0.74 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL18573655 0.74 FAAH (0.72) GPR84PPARGPPARDPPARATSHR
SCHEMBL13113451 0.74 FAAH (0.72) GPR84PPARGPPARDPPARATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576502-B1 NOVEL CHELATOR AND USE THEREOF CYTIVA BIOPROCESS R & D AB (SE) 2020-08-05 EP disclosed
EP-2576502-B1 NOVEL CHELATOR AND USE THEREOF CYTIVA BIOPROCESS R & D AB (SE) 2020-08-05 EP disclosed
US-10662261-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2020-05-26 US disclosed
US-10662261-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2020-05-26 US disclosed
US-20180223003-A1 Novel Chelator and Use Thereof CYTIVA BIOPROCESS R&D AB (SE) 2018-08-09 US disclosed
US-20180223003-A1 Novel Chelator and Use Thereof CYTIVA BIOPROCESS R&D AB (SE) 2018-08-09 US disclosed
US-9944722-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2018-04-17 US disclosed
US-9944722-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2018-04-17 US disclosed
EP-2576502-A1 NOVEL CHELATOR AND USE THEREOF GE Healthcare Bio-Sciences AB (SE) 2013-04-10 EP disclosed
US-20130072638-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2013-03-21 US disclosed
US-20130072638-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2013-03-21 US disclosed
WO-2011152782-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2011-12-08 WO disclosed
WO-2011152782-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2011-12-08 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 (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-20180223003-A1 Novel Chelator and Use Thereof SPR, ATIC, PHPT1 GPR84 2749/4885PPARG 4289/4885PPARD 4265/4885
US-10662261-B2 Chelator and use thereof ATIC, PHPT1, ADA GPR84 3026/4885PPARG 4262/4885PPARD 4191/4885

“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.