SCHEMBL21660550

SCHEMBL21660550

CCOCCNC(=O)CCCCCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
ADRA1A P35348 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CASP2 P42575 1/20 0.47
FAAH O00519 3/20 0.46
TSHR P16473 1/20 0.46
NAAA Q02083 1/20 0.45
PAOX Q6QHF9 3/20 0.44
DNM1 Q05193 1/20 0.44
GAA P10253 1/20 0.44
EPHX2 P34913 2/20 0.43

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
SCHEMBL30180923 0.86 EPHX2 (0.50) SMN1; SMN2CASP2FAAHTSHRDNM1
SCHEMBL12417323 0.85 FAAH (0.57) CASP2FAAHNAAADNM1EPHX2
SCHEMBL23452883 0.85 SMN1; SMN2 (0.45) KDM4EMAPK1HIF1ASMN1; SMN2FAAH
SCHEMBL14438828 0.85 FAAH (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL14438832 0.85 FAAH (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL14438830 0.85 FAAH (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL25517216 0.85 SMN1; SMN2 (0.49) KDM4EMAPK1HIF1AADRA1ASMN1; SMN2
SCHEMBL29324942 0.84 SMN1; SMN2 (0.47) SMN1; SMN2CASP2FAAHTSHRDNM1
SCHEMBL12734898 0.83 EPHX2 (0.53) KDM4EADRA1ASMN1; SMN2FAAHTSHR
SCHEMBL13165219 0.83 EPHX2 (0.53) KDM4EADRA1ASMN1; SMN2FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905665-B2 Chemical modulators of signaling pathways and therapeutic use DUKE UNIVERSITY (US) 2021-02-02 US disclosed
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY 2020-02-06 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 (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-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE SFRP1, FZD7, WNT1 KDM4E 2637/4885MAPK1 732/4885HIF1A 1710/4885
US-10905665-B2 Chemical modulators of signaling pathways and therapeutic use SFRP1, FZD7, WNT1 KDM4E 2637/4885MAPK1 732/4885HIF1A 1710/4885

“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.