SCHEMBL15042856

SCHEMBL15042856

CC(C)c1cc2ccc3cc(C(C)C)[nH]c3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.36
DHFR P00374 1/20 0.34
SLC2A1 P11166 1/20 0.34
DAO P14920 1/20 0.32
TSHR P16473 1/20 0.32
UGT2B7 P16662 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL15042907 0.82 DHFR (0.48) EIF4A3DHFRSLC2A1HSD17B10
SCHEMBL15042839 0.82 KDM4E (0.42) EIF4A3DHFRSLC2A1CYP1A2KDM4E
SCHEMBL15042834 0.80 KIF11 (0.39) EIF4A3DHFRSLC2A1UGT2B7KDM4E
SCHEMBL17811226 0.79 DAO (0.40) EIF4A3DAOTSHRCYP1A2KDM4E
SCHEMBL16380981 0.79 DAO (0.50) DAOCYP1A2KDM4EHSD17B10
SCHEMBL13561523 0.79 CYP2A6 (0.43) CYP1A2CYP2A6KDM4ELMNAHSD17B10
SCHEMBL13560729 0.79 KIF11 (0.41) EIF4A3DHFRSLC2A1UGT2B7KDM4E
SCHEMBL15042830 0.79 NOS3 (0.31) DHFRSLC2A1
SCHEMBL15042861 0.79 NPC1 (0.39)
SCHEMBL13561657 0.78 TSHR (0.31) TSHR

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 EIF4A3 171/4885DHFR 69/4885SLC2A1 4331/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L EIF4A3 297/4885DHFR 284/4885SLC2A1 4753/4885

“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.