SCHEMBL15042907

SCHEMBL15042907

CC(C)c1cc2c(ccc3cc(C(C)C)[nH]c32)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
SLC2A1 P11166 1/20 0.48
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EIF4A3 P38919 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 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
SCHEMBL15042856 0.82 EIF4A3 (0.36) DHFRSLC2A1HSD17B10EIF4A3
SCHEMBL25500719 0.81 DHFR (0.35) DHFRSLC2A1ALDH1A1HPGDHSD17B10
SCHEMBL15042834 0.76 KIF11 (0.39) DHFRSLC2A1KIF11ALDH1A1HPGD
SCHEMBL13561523 0.75 CYP2A6 (0.43) KIF11ALDH1A1HPGDHSD17B10CDK4
SCHEMBL13560729 0.75 KIF11 (0.41) DHFRSLC2A1KIF11ALDH1A1EIF4A3
SCHEMBL15042881 0.75 DHFR (0.46) DHFRSLC2A1KIF11ALDH1A1EIF4A3
SCHEMBL15042904 0.75 DHFR (0.52) DHFRSLC2A1ALDH1A1HPGDHSD17B10
SCHEMBL13560749 0.74 KIF11 (0.47) DHFRSLC2A1KIF11ALDH1A1EIF4A3
SCHEMBL13561493 0.74 DHFR (0.44) DHFRSLC2A1KIF11ALDH1A1HPGD
SCHEMBL15042825 0.73 LMNA (0.36) KIF11ALDH1A1HPGDHSD17B10EIF4A3

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 DHFR 69/4885SLC2A1 4331/4885KIF11 2914/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L DHFR 284/4885SLC2A1 4753/4885KIF11 2163/4885

“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.