SCHEMBL13038655

SCHEMBL13038655

CCC/C(C)=C/COc1c2c(cc3occc13)OC1(C=C2)OC(CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.61
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
BACE1 P56817 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP3A5 P20815 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GSK3B P49841 1/20 0.52
LMNA P02545 2/20 0.51

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
SCHEMBL13714673 0.97 CYP3A4 (0.59) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714668 0.97 CYP3A4 (0.59) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714872 0.97 CYP3A4 (0.59) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714894 0.91 CYP3A4 (0.68) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL29542259 0.91 CYP3A4 (0.68) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714667 0.89 CYP3A4 (0.49) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714733 0.89 CYP3A4 (0.49) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714665 0.89 CYP3A4 (0.49) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714671 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1KDM4ETDP1BACE1
SCHEMBL13714670 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1KDM4ETDP1BACE1

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-20100291034-A1 COMBINATIONS OF HCV PROTEASE INHIBITOR(S) AND CYP3A4 INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO SCHERING CORPORATION (US) 2010-11-18 US disclosed
US-20070287664-A1 Combinations of HCV protease inhibitor(s) and CYP3A4 inhibitor(s), and methods of treatment related thereto SCHERING CORPORATION 2007-12-13 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-20070287664-A1 Combinations of HCV protease inhibitor(s) and CYP3A4 inhibitor(s), and methods of treatment related thereto CYP3A43, CYP3A4, CYP3A7 CYP3A4 2/4885ALDH1A1 653/4885KDM4E 3585/4885
US-20100291034-A1 COMBINATIONS OF HCV PROTEASE INHIBITOR(S) AND CYP3A4 INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO CYP3A43, CYP3A4, CYP3A7 CYP3A4 2/4885ALDH1A1 653/4885KDM4E 3585/4885

“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.