SCHEMBL8515698

SCHEMBL8515698

C#CCCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 13/20 1.00
MAOB P27338 13/20 1.00
CA12 O43570 8/20 1.00
CA9 Q16790 8/20 1.00
CA1 P00915 6/20 0.72
CA4 P22748 3/20 0.72
CA6 P23280 3/20 0.69
CA7 P43166 3/20 0.69
CA14 Q9ULX7 3/20 0.69
CA5B Q9Y2D0 3/20 0.69
CA2 P00918 2/20 0.69
CA3 P07451 1/20 0.69
CA5A P35218 2/20 0.65
CYP1A2 P05177 1/20 0.60

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
SCHEMBL23624807 0.86 CA12 (0.75) MAOAMAOBCA12CA9CA1
SCHEMBL24045405 0.85 CA12 (0.82) MAOAMAOBCA12CA9CA1
SCHEMBL12304245 0.85 CA12 (0.81) MAOAMAOBCA12CA9CA1
SCHEMBL8512573 0.84 CA12 (1.00) MAOAMAOBCA12CA9CA1
SCHEMBL30127638 0.84 CA12 (1.00) MAOAMAOBCA12CA9CA1
SCHEMBL15745920 0.83 CA12 (1.00) MAOAMAOBCA12CA9CA1
SCHEMBL31086804 0.82 CA12 (0.77) MAOAMAOBCA12CA9CA1
SCHEMBL9214643 0.82 CA12 (0.77) MAOAMAOBCA12CA9CA1
SCHEMBL31086623 0.82 CA12 (0.77) MAOAMAOBCA12CA9CA1
7-Butoxycoumarin SCHEMBL6686295 0.82 CA12 (1.00) MAOAMAOBCA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 WO disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 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 (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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 MAOA 834/4885MAOB 1205/4885CA12 10/4885

“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.