SCHEMBL16316892

SCHEMBL16316892

C/C(=C\COc1c2c(cc3occc13)O[C@@H](O[C@H](CC/C(C)=C/COc1ccc3ccc(=O)oc3c1)C(C)(C)O)C=C2)CCC1OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
NDUFS8 O00217 6/20 0.47
COXFA4 O00483 6/20 0.47
NDUFAB1 O14561 6/20 0.47
NDUFA1 O15239 6/20 0.47
NDUFS4 O43181 6/20 0.47
NDUFB5 O43674 6/20 0.47
NDUFB3 O43676 6/20 0.47
NDUFC1 O43677 6/20 0.47
NDUFA2 O43678 6/20 0.47
NDUFS5 O43920 6/20 0.47
NDUFS7 O75251 6/20 0.47
NDUFS2 O75306 6/20 0.47
NDUFS6 O75380 6/20 0.47
NDUFB1 O75438 6/20 0.47
NDUFS3 O75489 6/20 0.47
NDUFB6 O95139 6/20 0.47
NDUFA3 O95167 6/20 0.47
NDUFB4 O95168 6/20 0.47
NDUFB8 O95169 6/20 0.47

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
SCHEMBL13973668 1.00 CYP3A4 (0.49) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL16316883 0.92 CYP3A4 (0.59) CYP3A4
SCHEMBL14219212 0.92 CYP3A4 (0.59) CYP3A4
SCHEMBL14219123 0.87 CYP3A4 (0.57) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL13714667 0.81 CYP3A4 (0.49) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL13714665 0.81 CYP3A4 (0.49) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL13714733 0.81 CYP3A4 (0.49) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL13962606 0.79 CYP3A4 (0.47) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL13743063 0.79 CYP3A4 (0.47) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL14511465 0.77 NDUFS8 (0.41) CYP3A4NDUFS8COXFA4NDUFAB1NDUFA1

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-7576124-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2008-02-14 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-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS ABCG2, FABP2, HDLBP CYP3A4 19/4885NDUFS8 499/4885COXFA4 1350/4885

“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.