SCHEMBL3883137

SCHEMBL3883137

COC(=O)CCc1ccc(OCC2CCCC2)c(-c2ccc3cc(NC(N)=O)ccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.49
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRC P12931 4/20 0.39
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
ABL1 P00519 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL3882373 0.92 C5AR1 (0.45) C5AR1MEN1KMT2ANPSR1SRC
SCHEMBL3883616 0.91 C5AR1 (0.48) C5AR1MEN1KMT2APDE4DNPSR1
SCHEMBL3887867 0.90 C5AR1 (0.42) C5AR1MEN1KMT2APDE4DNPSR1
SCHEMBL3680727 0.88 C5AR1 (0.41) C5AR1MEN1KMT2ASRCPARP15
SCHEMBL3893938 0.88 SMN1; SMN2 (0.42) C5AR1MEN1KMT2ANPSR1SRC
SCHEMBL3686084 0.87 C5AR1 (0.41) C5AR1MEN1KMT2APDE4DSRC
SCHEMBL3883719 0.87 CCNC (0.48) C5AR1MEN1KMT2ASRCHRH3
SCHEMBL3676519 0.87 C5AR1 (0.40) C5AR1MEN1KMT2ASRCHRH3
SCHEMBL3895660 0.87 C5AR1 (0.41) C5AR1MEN1KMT2ANPSR1SRC
SCHEMBL3681581 0.86 MEN1 (0.41) C5AR1MEN1KMT2APDE4DSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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 (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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 C5AR1 282/4885MEN1 4756/4885KMT2A 2392/4885

“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.