SCHEMBL15042843

SCHEMBL15042843

CC(C)c1ccc2c(c1)C1(CCCC1)c1cc(C(C)C)[nH]c1-2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
PDK2 Q15119 1/20 0.33
KIF11 P52732 1/20 0.32

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
SCHEMBL13560738 0.97 KDM4E (0.36) KDM4EHPGDGFERHSD17B10LMNA
SCHEMBL13560741 0.94 KDM4E (0.35) KDM4EHPGDGFERHSD17B10LMNA
SCHEMBL13561512 0.83 KDM4E (0.31) KDM4EHPGDLMNA
SCHEMBL13561604 0.83 LMNA (0.37) KDM4EHPGDGFERHSD17B10LMNA
SCHEMBL15042896 0.81 PDK2 (0.36) HPGDGFERHSD17B10LMNAPDK2
SCHEMBL13561559 0.80 LMNA (0.39) KDM4EHPGDGFERHSD17B10LMNA
SCHEMBL13561581 0.80 CYP1A2 (0.31) KDM4EHPGDHSD17B10LMNA
SCHEMBL13560734 0.80 LMNA (0.37) KDM4EHPGDGFERHSD17B10LMNA
SCHEMBL15042862 0.78 PDK2 (0.38) KDM4EHPGDGFERHSD17B10LMNA
SCHEMBL13560751 0.78 PDK2 (0.36) HPGDGFERHSD17B10LMNAPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 KDM4E 2635/4885HPGD 984/4885GFER 2397/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 2910/4885HPGD 3077/4885GFER 4725/4885

“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.