Sugi Predict

Sugi Predict / Compounds / SCHEMBL15042852

SCHEMBL15042852

SCHEMBL15042852

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

nearest known ligand 0.38

Predicted protein targets (top 20)

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
▸ KIF11 P52732 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ 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
▸ CA1 P00915 5/20 0.32
▸ CA2 P00918 5/20 0.32
▸ CA4 P22748 5/20 0.32
▸ CA6 P23280 5/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ TRPA1 O75762 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
SCHEMBL13560743 0.87 LMNA (0.38) LMNAHPGDGFERHSD17B10KIF11
SCHEMBL15042870 0.82 KDM4E (0.35) LMNAHPGDGFERHSD17B10KIF11
SCHEMBL15042860 0.79 HPGD (0.37) HPGDGFERHSD17B10KIF11KDM4E
SCHEMBL4473883 0.78 LMNA (0.52) LMNAHPGDGFERHSD17B10KDM4E
SCHEMBL15042840 0.78 HPGD (0.42) LMNAHPGDGFERHSD17B10KIF11
SCHEMBL15042899 0.77 LMNA (0.38) LMNAHPGDGFERHSD17B10KIF11
SCHEMBL15042853 0.76 LMNA (0.34) LMNAHPGDGFERHSD17B10KIF11
SCHEMBL15804619 0.74 KDM4E (0.53) KIF11KDM4ENPSR1CA1CA2
SCHEMBL13561664 0.71 LMNA (0.42) LMNAHPGDGFERHSD17B10KIF11
SCHEMBL13561490 0.71 PARP10 (0.41) LMNAHPGDHSD17B10KDM4EMAOA

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.