SCHEMBL13560741

SCHEMBL13560741

CC(C)c1ccc2c(c1)C1(CC1)c1cc(C(C)C)[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDK2 Q15119 1/20 0.35
KIF11 P52732 1/20 0.33

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
SCHEMBL15042843 0.94 KDM4E (0.36) KDM4ELMNAHPGDGFERHSD17B10
SCHEMBL13560738 0.94 KDM4E (0.36) KDM4ELMNAHPGDGFERHSD17B10
SCHEMBL13561581 0.85 CYP1A2 (0.31) KDM4ELMNAHPGDHSD17B10
SCHEMBL13561559 0.85 LMNA (0.39) KDM4ELMNAHPGDGFERHSD17B10
SCHEMBL13560734 0.82 LMNA (0.37) KDM4ELMNAHPGDGFERHSD17B10
SCHEMBL15042862 0.81 PDK2 (0.38) KDM4ELMNAHPGDGFERHSD17B10
SCHEMBL13561604 0.80 LMNA (0.37) KDM4ELMNAHPGDGFERHSD17B10
SCHEMBL13561512 0.80 KDM4E (0.31) KDM4ELMNAHPGD
SCHEMBL13560753 0.79 PDK2 (0.38) LMNAHPGDGFERHSD17B10PDK2
SCHEMBL13560751 0.74 PDK2 (0.36) LMNAHPGDGFERHSD17B10PDK2

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 6 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
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 US disclosed
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 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 (3 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 2635/4885LMNA 1245/4885HPGD 984/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 2910/4885LMNA 705/4885HPGD 3077/4885
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 3618/4885LMNA 833/4885HPGD 3104/4885

“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.