SCHEMBL7054848

SCHEMBL7054848

CC(=O)OCCN(C/C=C/c1ccccc1Nc1cc[c]c(Cl)c1)CCOC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CDC25B P30305 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25C P30307 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6096007 0.81 MAPK14 (0.56) TSHRKDM4EALDH1A1MAPK13MAPK12
SCHEMBL6095998 0.81 MAPK14 (0.56) TSHRKDM4EALDH1A1MAPK13MAPK12
SCHEMBL6097195 0.67 MAPK14 (0.61) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6097197 0.67 MAPK14 (0.61) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7052740 0.66 KDM4E (0.46) TSHRKDM4EALDH1A1SMN1; SMN2MAPK13
SCHEMBL12671106 0.59 TSHR (0.65) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3223085 0.59 TSHR (0.69) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2459851 0.58 ALDH1A1 (0.47) TSHRKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL19898834 0.58 ALDH1A1 (0.52) TSHRCDC25BKDM4EALDH1A1HPGD
SCHEMBL6502508 0.57 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 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-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors IL1B, IL1A, TNF TSHR 3976/4885CDC25B 1123/4885KDM4E 3987/4885

“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.