SCHEMBL3883148

SCHEMBL3883148

COC(=O)CCc1cc(-c2ccc(N)c(C)c2)c(OC2Cc3ccccc3C2)c([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.34
CHEK1 O14757 1/20 0.34
MAPT P10636 3/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HDAC1 Q13547 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 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
SCHEMBL3883641 0.88 CCNC (0.44) PTPN1CHEK1MAPTPDE4APDE4B
SCHEMBL3881970 0.84 ENPP2 (0.36) PTPN1CHEK1CCNCCDK8
SCHEMBL3881669 0.83 PTPN1 (0.34) PTPN1CHEK1CCNCCDK8LMNA
SCHEMBL3883920 0.83 TRPA1 (0.39) CHEK1MAPTCCNCCDK8POLB
SCHEMBL924062 0.82 THRA (0.39) PTPN1CHEK1MAPTKMT2AALDH1A1
SCHEMBL924546 0.82 AR (0.38) CCNCCDK8GAA
SCHEMBL3887972 0.80 CCNC (0.35) PTPN1CHEK1HDAC1CCNCCDK8
SCHEMBL3888617 0.79 CCNC (0.47) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL3675582 0.78 CCNC (0.45) PTPN1CHEK1PDE4BCCNCCDK8
SCHEMBL3885078 0.78 FFAR4 (0.44) MAPTHDAC1CCNCCDK8LMNA

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 4 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 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 PTPN1 1292/4885CHEK1 2850/4885MAPT 4799/4885

“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.