SCHEMBL15085356

SCHEMBL15085356

CCCCOc1ccc2c(c1)C1C(C2)C1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARD Q03181 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PPARG P37231 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
FFAR1 O14842 2/20 0.36
HTR2A P28223 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15085312 0.84 POLB (0.45) ALDH1A1HSP90AA1PPARGFFAR1MEN1
SCHEMBL16450276 0.82 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4EMEN1GAA
SCHEMBL15085313 0.81 KDM4E (0.40) MAPK1NQO2MTNR1AMTNR1BALDH1A1
SCHEMBL16844577 0.77 TSHR (0.40) ALDH1A1PPARGHTR2AMEN1GAA
SCHEMBL1477578 0.77 TSHR (0.50) MAPK1KDM4EMAPT
SCHEMBL1477389 0.77 TSHR (0.50) MAPK1KDM4EMAPT
SCHEMBL22209851 0.77 TSHR (0.50) MAPK1KDM4EMAPT
SCHEMBL12749371 0.77 TSHR (0.50) MAPK1KDM4EMAPT
SCHEMBL30280677 0.77 TSHR (0.50) MAPK1KDM4EMAPT
SCHEMBL1478163 0.75 CYP19A1 (0.51) NQO2MTNR1AMTNR1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124472-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BeiGene, Ltd. (KY) 2017-02-01 EP disclosed
US-20160206621-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2016-07-21 US disclosed
EP-2797888-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2016-06-08 EP disclosed
US-9273046-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2016-03-01 US disclosed
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2015-02-12 US disclosed
WO-2013097224-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO 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-20160206621-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF BRD4 908/4885MAPK1 224/4885SMN1; SMN2 4831/4885
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF BRD4 908/4885MAPK1 224/4885SMN1; SMN2 4831/4885

“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.