SCHEMBL16635074

SCHEMBL16635074

O=c1ccc2ccc3cccc(-c4ccccc4)c3c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
PLK4 O00444 1/20 0.44
MAPK9 P45984 1/20 0.44
LIMK1 P53667 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
AKT3 Q9Y243 1/20 0.44
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CA1 P00915 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL28242567 0.88 CA12 (0.55) CA12CA9PLK4MAPK9LIMK1
SCHEMBL30957146 0.75 ALDH1A1 (0.55) PLK4MAPK9LIMK1CLK4AKT3
SCHEMBL29235059 0.75 ALDH1A1 (0.55) PLK4MAPK9LIMK1CLK4AKT3
SCHEMBL19713068 0.74 CA12 (0.76) CA12CA9CDK4CCND1CA1
SCHEMBL19713049 0.74 CA12 (0.76) CA12CA9KDM4ECA1CA3
SCHEMBL14236946 0.74 CA12 (0.55) CA12CA9CDK4CCND1KDM4E
SCHEMBL30714888 0.74 CA12 (0.55) CA12CA9CDK4CCND1KDM4E
SCHEMBL16135235 0.73 PDE3B (0.50) CA12CA9MAPK9KDM4ECA1
SCHEMBL2324532 0.73 CA12 (0.59) CA12CA9CDK4CCND1KDM4E
SCHEMBL10962686 0.73 ALDH1A1 (0.65) PLK4MAPK9LIMK1CLK4AKT3

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-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water CHICAGO DISCOVERY SOLUTIONS, LLC 2019-05-28 US disclosed
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER CHICAGO DISCOVERY SOLUTIONS, LLC (US) 2016-09-15 US disclosed
WO-2015054120-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER CHICAGO DISCOVERY SOLUTIONS, LLC (US) 2015-04-16 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-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water RUVBL2, RUVBL1, CYP2W1 CA12 3859/4885CA9 2808/4885PLK4 2877/4885
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER RUVBL2, RUVBL1, CYP2W1 CA12 3859/4885CA9 2808/4885PLK4 2877/4885

“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.