SCHEMBL3883158

SCHEMBL3883158

COC(=O)CCc1cc(-c2ccc3ccccc3c2)c(O[C@H]2CC[C@H](C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
PTPN1 P18031 2/20 0.38
SLC6A3 Q01959 6/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 1/20 0.35
CHEK1 O14757 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3883156 1.00 CCNC (0.43) CCNCCDK8PTPN1SLC6A3SLC6A4
SCHEMBL3675582 0.93 CCNC (0.45) CCNCCDK8PTPN1SLC6A3SLC6A4
SCHEMBL3887748 0.92 CCNC (0.44) CCNCCDK8PTPN1SLC6A3SLC6A4
SCHEMBL3882585 0.91 FFAR4 (0.42) CCNCCDK8ALDH1A1LMNAMAPT
SCHEMBL3882586 0.91 FFAR4 (0.42) CCNCCDK8ALDH1A1LMNAMAPT
SCHEMBL3883641 0.89 CCNC (0.44) CCNCCDK8PTPN1SLC6A3SLC6A4
SCHEMBL3888638 0.86 CCNC (0.42) CCNCCDK8PTPN1SLC6A3SLC6A4
SCHEMBL3888642 0.86 CCNC (0.42) CCNCCDK8PTPN1SLC6A3SLC6A4
SCHEMBL3888122 0.85 CCNC (0.46) CCNCCDK8PTPN1SLC6A3SLC6A4
SCHEMBL3882396 0.85 CCNC (0.46) CCNCCDK8PTPN1SLC6A3SLC6A4

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 6 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
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP 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 CCNC 2174/4885CDK8 3600/4885PTPN1 1292/4885

“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.