SCHEMBL13714665

SCHEMBL13714665

C/C(=C\COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@H](CC/C(C)=C/COc2ccc3ccc(=O)oc3c2)C(C)(C)O1)CCC1OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.49
TDP1 Q9NUW8 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NDUFS8 O00217 3/20 0.46
COXFA4 O00483 3/20 0.46
NDUFAB1 O14561 3/20 0.46
NDUFA1 O15239 3/20 0.46
NDUFS4 O43181 3/20 0.46
NDUFB5 O43674 3/20 0.46
NDUFB3 O43676 3/20 0.46
NDUFC1 O43677 3/20 0.46
NDUFA2 O43678 3/20 0.46
NDUFS5 O43920 3/20 0.46
NDUFS7 O75251 3/20 0.46
NDUFS2 O75306 3/20 0.46
NDUFS6 O75380 3/20 0.46
NDUFB1 O75438 3/20 0.46
NDUFS3 O75489 3/20 0.46
NDUFB6 O95139 3/20 0.46
NDUFA3 O95167 3/20 0.46

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
SCHEMBL13714733 1.00 CYP3A4 (0.49) CYP3A4TDP1KDM4ENDUFS8COXFA4
SCHEMBL13714667 1.00 CYP3A4 (0.49) CYP3A4TDP1KDM4ENDUFS8COXFA4
SCHEMBL13962606 0.97 CYP3A4 (0.47) CYP3A4TDP1KDM4ENDUFS8COXFA4
SCHEMBL13743063 0.93 CYP3A4 (0.47) CYP3A4TDP1KDM4ENDUFS8COXFA4
SCHEMBL13714668 0.92 CYP3A4 (0.59) CYP3A4TDP1KDM4EALDH1A1MAPT
SCHEMBL13714673 0.92 CYP3A4 (0.59) CYP3A4TDP1KDM4EALDH1A1MAPT
SCHEMBL13714872 0.92 CYP3A4 (0.59) CYP3A4TDP1KDM4EALDH1A1MAPT
SCHEMBL14495421 0.90 CYP3A4 (0.42) CYP3A4TDP1KDM4ENDUFS8COXFA4
SCHEMBL13038655 0.89 CYP3A4 (0.61) CYP3A4TDP1KDM4EALDH1A1MAPT
SCHEMBL14511465 0.88 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 16 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-7576124-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-7576123-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-7576123-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-7514572-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, LLC (US) 2009-04-07 US disclosed
US-7514572-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, LLC (US) 2009-04-07 US disclosed
US-20090011013-A1 Tacrolimus Combination Products LIFECYCLE PHARMA A/S (DK) 2009-01-08 US disclosed
US-7378534-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, LLC. (US) 2008-05-27 US disclosed
US-20080103194-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2008-05-01 US disclosed
US-20080103194-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2008-05-01 US disclosed
US-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2008-02-14 US disclosed
US-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2008-02-14 US disclosed
US-20070244188-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2007-10-18 US disclosed
US-20070244188-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2007-10-18 US disclosed
US-7230027-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2007-06-12 US disclosed
US-7230027-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2007-06-12 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 (4 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-20090011013-A1 Tacrolimus Combination Products CYP2D6, CYP2B6, CYP3A5 CYP3A4 12/4885TDP1 1912/4885KDM4E 3863/4885
US-20080103194-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS ABCG2, FABP2, SLC18A3 CYP3A4 45/4885TDP1 966/4885KDM4E 3899/4885
US-20070244188-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS FABP2, ABCG2, NPSR1 CYP3A4 327/4885TDP1 2553/4885KDM4E 3978/4885
US-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS ABCG2, FABP2, HDLBP CYP3A4 19/4885TDP1 790/4885KDM4E 3550/4885

“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.