SCHEMBL15042899

SCHEMBL15042899

CC(C)c1ccc2c(c1)Cc1[nH]c(C(C)C)cc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP17A1 P05093 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KIF11 P52732 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PDK2 Q15119 1/20 0.31
KMT2A Q03164 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL15042891 0.86 LMNA (0.37) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL15042910 0.81 HPGD (0.33) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL4473883 0.78 LMNA (0.52) LMNAHPGDGFERHSD17B10CYP17A1
SCHEMBL15042852 0.77 LMNA (0.38) LMNAHPGDGFERHSD17B10CYP17A1
SCHEMBL15042912 0.77 MEN1 (0.37) LMNAHPGDGFERHSD17B10KIF11
SCHEMBL15042885 0.76 HPGD (0.40) LMNAHPGDGFERHSD17B10PDK2
SCHEMBL15042882 0.74 LMNA (0.35) LMNAHPGDKIF11MAPTPTGS1
SCHEMBL13560743 0.71 LMNA (0.38) LMNAHPGDGFERHSD17B10NPSR1
SCHEMBL20055113 0.70 LMNA (0.52) LMNAHPGDGFERHSD17B10CYP17A1
SCHEMBL19383233 0.70 CYP17A1 (0.57) LMNAHPGDHSD17B10CYP17A1MAOA

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 LMNA 1245/4885HPGD 984/4885GFER 2397/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L LMNA 705/4885HPGD 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.