SCHEMBL92966

SCHEMBL92966

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.42
CYP2C9 P11712 1/20 0.42
BRD4 O60885 5/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CCR5 P51681 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 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
SCHEMBL13851998 0.87 CYP2C9 (0.36) PTGER1CYP2C9BRD4ALDH1A1HPGD
SCHEMBL2480228 0.83 PTPN1 (0.41)
SCHEMBL2477735 0.76 PTPN1 (0.36) CYP19A1LMNACTSVCTSL
SCHEMBL81538 0.73 ACACB (0.35) PTGER1CYP2C9BRD4ALDH1A1HPGD
SCHEMBL2480740 0.72 NQO2 (0.37) ALDH1A1HPGDKDM4E
SCHEMBL80091 0.72 HPGD (0.40) ALDH1A1HPGDKDM4ELMNA
SCHEMBL17051389 0.72 HPGD (0.40) ALDH1A1HPGDKDM4ELMNA
SCHEMBL80092 0.72 HPGD (0.40) ALDH1A1HPGDKDM4ELMNA
SCHEMBL2777969 0.72 KLK7 (0.33)
SCHEMBL2482763 0.72 KLK7 (0.33)

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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C PTGER1 4140/4885CYP2C9 70/4885BRD4 2346/4885

“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.