SCHEMBL15042893

SCHEMBL15042893

CC(C)c1cc2c(ccc3c(C(C)C)cccc32)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
SLC2A1 P11166 1/20 0.41
KIF11 P52732 4/20 0.40
HPGD P15428 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
LMNA P02545 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRA6 Q16445 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL24371171 0.86 DHFR (0.42) DHFRSLC2A1KIF11HPGDGABRA1
SCHEMBL15042892 0.78 DHFR (0.49) DHFRSLC2A1KIF11HPGDGABRA1
SCHEMBL15042873 0.78 DHFR (0.43) DHFRSLC2A1KIF11GABRA1GABRG2
SCHEMBL15042825 0.75 LMNA (0.36) KIF11HPGDGABRA1GABRG2GABRB3
SCHEMBL15042876 0.75 GABRA1 (0.40) DHFRSLC2A1GABRA1GABRG2GABRB3
SCHEMBL15042889 0.73 PDK2 (0.35) DHFRSLC2A1HPGDGABRA1GABRG2
SCHEMBL4657600 0.73 GABRA1 (0.57) HPGDGABRA1GABRG2GABRB3LMNA
SCHEMBL30381967 0.73 GABRA1 (0.57) HPGDGABRA1GABRG2GABRB3LMNA
SCHEMBL19737437 0.72 DAO (0.50) DHFRSLC2A1KIF11HPGDCYP1A2
SCHEMBL16380895 0.70 DHFR (0.48) DHFRSLC2A1KIF11HPGDCYP3A4

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.