SCHEMBL13851998

SCHEMBL13851998

CC(C)(C)OC(=O)NC1(c2ccc(OCc3ccccc3)c(C(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
BRD4 O60885 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SYK P43405 1/20 0.34
CYP19A1 P11511 1/20 0.34
PPARA Q07869 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
CA9 Q16790 1/20 0.34
KLK7 P49862 2/20 0.34
KLK5 Q9Y337 2/20 0.34
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL92966 0.87 PTGER1 (0.42) CYP2C9PTGER1BRD4KDM4EALDH1A1
SCHEMBL2480228 0.84 PTPN1 (0.41)
SCHEMBL81538 0.82 ACACB (0.35) CYP2C9PTGER1BRD4KDM4EALDH1A1
SCHEMBL2477735 0.77 PTPN1 (0.36) CYP19A1LMNA
SCHEMBL2480740 0.74 NQO2 (0.37) KDM4EALDH1A1HPGD
SCHEMBL2482763 0.73 KLK7 (0.33) PPARAKLK7KLK5
SCHEMBL2777969 0.73 KLK7 (0.33) PPARAKLK7KLK5
SCHEMBL80091 0.71 HPGD (0.40) KDM4EALDH1A1HPGDLMNA
SCHEMBL80092 0.71 HPGD (0.40) KDM4EALDH1A1HPGDLMNA
SCHEMBL17051389 0.71 HPGD (0.40) KDM4EALDH1A1HPGDLMNA

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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 CYP2C9 35/4885PTGER1 1932/4885BRD4 2854/4885

“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.