SCHEMBL12180841

SCHEMBL12180841

COC(=O)c1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(C(=O)OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.68
MAPK14 Q16539 4/20 0.62
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 4/20 0.55
GLA P06280 3/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
GFER P55789 1/20 0.55
IDO1 P14902 1/20 0.55
MAPK13 O15264 1/20 0.55
ALOX5 P09917 1/20 0.55
GCGR P47871 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
NPC1 O15118 2/20 0.52

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
SCHEMBL15071001 0.96 MAPK14 (0.63) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL15071002 0.88 KDM4E (0.67) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL15050028 0.88 KDM4E (0.67) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL4552086 0.86 RAF1 (0.88) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL2594783 0.81 KDM4E (0.63) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL30762099 0.79 RAF1 (0.76) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL31742329 0.79 RAF1 (0.76) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL17002180 0.77 MAPK14 (1.00) RAF1MAPK14MAPK13ALOX5GCGR
SCHEMBL4721236 0.74 RAF1 (0.72) RAF1MAPK14KDM4EALDH1A1HPGD
SCHEMBL8797140 0.74 RAF1 (0.67) RAF1MAPK14KDM4EALDH1A1HPGD

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-20130165489-A1 Small Molecule Modulators of HIV-1 Capsid Stability and Methods Thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-27 US disclosed
WO-2011139637-A1 SMALL-MOLECULE MODULATORS OF HIV-1 CAPSID STABILITY AND METHODS THEREOF PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2011-11-10 WO 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-20130165489-A1 Small Molecule Modulators of HIV-1 Capsid Stability and Methods Thereof ZC3HAV1, MAVS, HAVCR2 RAF1 3537/4885MAPK14 3222/4885KDM4E 1542/4885

“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.