SCHEMBL6719645

SCHEMBL6719645

Cc1cc(C(C)(C)CCCOCCCOCCCC(C)(C)c2cc(C)no2)on1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6712884 0.94 CYP1A2 (0.34) CYP1A2CYP19A1CYP2C9CYP2C19CHRNB2
SCHEMBL6257045 0.78 HRH3 (0.32) HRH3
SCHEMBL20320538 0.78 POLB (0.38) CYP1A2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL18483392 0.76 HCAR2 (0.32) MEN1KMT2A
SCHEMBL14530597 0.73 POLB (0.36) CYP1A2CYP19A1CYP2C9CYP2C19CHRNB2
SCHEMBL14724231 0.73 MEN1 (0.34) CYP1A2CYP19A1CYP2C9CYP2C19CHRNB2
SCHEMBL20320522 0.72 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL20320536 0.72 HCAR2 (0.38) MEN1KMT2A
SCHEMBL22859307 0.70
SCHEMBL20320323 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-09-30 US claimed
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US claimed
US-6713507-B2 CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; ALZHEIMER'S DISEASE ESPERION THERAPEUTICS, INC. 2004-03-30 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-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 CYP1A2 367/4885CYP19A1 79/4885CYP2C9 686/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 CYP1A2 367/4885CYP19A1 79/4885CYP2C9 686/4885

“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.