SCHEMBL5107101

SCHEMBL5107101

Oc1cc(O)c2c(c1)Oc1ccc(Br)cc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.39
MAPKAPK2 P49137 2/20 0.35
PTGS2 P35354 4/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
PTGS1 P23219 2/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
KMT2A Q03164 2/20 0.32
SYNJ2 O15056 1/20 0.32
ALOX15 P16050 1/20 0.32
BACE1 P56817 4/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL5099977 0.88 AHR (0.39) AHRMAPKAPK2PTGS2PIK3CAMTOR
SCHEMBL7111884 0.82 MAPKAPK2 (0.35) MAPKAPK2PTGS2PIK3CAMTORPDK1
SCHEMBL7112263 0.82 AHR (0.39) AHRMAPKAPK2PTGS2PIK3CAMTOR
SCHEMBL7116087 0.82 SMN1; SMN2 (0.42) MAPKAPK2PTGS2PDK1PDK2PDK3
SCHEMBL620562 0.80 AHR (0.58) AHRSRD5A1SRD5A2GAAMAPT
SCHEMBL5106538 0.80 MAOA (0.42) MAPKAPK2PTGS2PTGS1MEN1CYP3A4
SCHEMBL7114536 0.79 PTGER4 (0.35) MAPKAPK2PTGS2PTGS1MEN1CYP3A4
SCHEMBL14098102 0.78 MAPKAPK2 (0.36) MAPKAPK2PTGS2PTGS1MEN1CYP3A4
SCHEMBL14098211 0.78 ALOX5 (0.38) PTGS2PIK3CAMTORPIK3CGMEN1
SCHEMBL14138738 0.78 MAPKAPK2 (0.44) MAPKAPK2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
EP-1182200-B1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF NIPPON SUISAN KAISHA LTD (JP) 2005-08-31 EP disclosed
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. 2004-07-01 US disclosed
US-6700013-B2 O-BROMOPHENYLACETIC ACID DERIVATIVE CHEMICAL INTERMEDIATE; SMOOTH MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 2004-03-02 US disclosed
US-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD., A JAPAN CORPORATION 2003-11-27 US disclosed
US-6602898-B1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. (JP) 2003-08-05 US disclosed
EP-1182200-A9 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-05-22 EP disclosed
EP-1182200-A1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-02-27 EP 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-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 AHR 41/4885MAPKAPK2 3008/4885PTGS2 312/4885
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 AHR 41/4885MAPKAPK2 3008/4885PTGS2 312/4885

“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.