SCHEMBL5008341

SCHEMBL5008341

O=c1ccc2ccc(-c3ccc(Br)cc3)cc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.67
MAOA P21397 2/20 0.55
MAOB P27338 1/20 0.55
PGR P06401 5/20 0.54
CA12 O43570 6/20 0.52
CA9 Q16790 6/20 0.52
CA1 P00915 5/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 4/20 0.52
MCL1 Q07820 4/20 0.52
AKR1B1 P15121 3/20 0.52
HPGD P15428 3/20 0.52
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 2/20 0.52

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
SCHEMBL11033273 0.84 CA12 (0.59) CYP19A1MAOAMAOBCA12CA9
SCHEMBL15842362 0.83 PGR (0.77) CYP19A1MAOAMAOBPGRCA12
Hydrogen Sulfide SCHEMBL6878722 0.82 CA12 (0.57) CYP19A1MAOAMAOBCA12CA9
SCHEMBL5008339 0.76 CYP19A1 (0.51) CYP19A1MAOAMAOBPGRCA12
SCHEMBL30022703 0.76 CYP19A1 (0.59) CYP19A1PGRCA12CA9CA1
SCHEMBL31676674 0.75 CA12 (0.73) CYP19A1PGRCA12CA9CA1
SCHEMBL875198 0.75 CA12 (0.60) PGRCA12CA9CA1ALDH1A1
SCHEMBL15842536 0.74 CYP19A1 (0.59) CYP19A1MAOBPGRCA12CA9
SCHEMBL28318294 0.73 DYRK1A (0.46) CYP19A1MAOAMAOBCA12ALDH1A1
Coumarin SCHEMBL28377687 0.72 CA12 (0.77) MAOAMAOBPGRCA12CA9

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
CN-105272972-A Benzoheterocyclic hexadiene derivative having anti-virus activity SHANGHAI TANGRUN PHARMACEUTICALS CO LTD 2016-01-27 CN disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 US disclosed
US-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors GAREAU YVES 2006-06-01 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 (1 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-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors LTC4S, LTA4H, CYSLTR1 CYP19A1 727/4885MAOA 2648/4885MAOB 2936/4885

“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.