SCHEMBL15042840

SCHEMBL15042840

CC(C)c1ccc2c(c1)C(C)(C)Cc1cc(C(C)C)[nH]c1-2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
PDK2 Q15119 1/20 0.33
KIF11 P52732 1/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL15042885 0.79 HPGD (0.40) HPGDGFERHSD17B10LMNAPDK2
SCHEMBL15042852 0.78 LMNA (0.38) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL13560734 0.77 LMNA (0.37) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL13560743 0.75 LMNA (0.38) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL13560741 0.74 KDM4E (0.35) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL12294490 0.73 HSD17B10 (0.37) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL12328339 0.73 HPGD (0.37) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL15042860 0.73 HPGD (0.37) HPGDGFERHSD17B10KDM4EPDK2
SCHEMBL15042862 0.72 PDK2 (0.38) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL15042843 0.72 KDM4E (0.36) HPGDGFERHSD17B10KDM4ELMNA

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 3 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-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 HPGD 984/4885GFER 2397/4885HSD17B10 230/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L HPGD 3077/4885GFER 4725/4885HSD17B10 615/4885

“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.