SCHEMBL16810643

SCHEMBL16810643

CN1c2cc(-c3ccccc3)ccc2Oc2ccc(-c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
ESR2 Q92731 1/20 0.37
ALOX5 P09917 1/20 0.36
PGR P06401 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL18542354 1.00 CA12 (0.40) CA12CA9GAAKDM4EMEN1
SCHEMBL16810785 0.95 KDM4E (0.45) CA12CA9GAAKDM4EMEN1
SCHEMBL13243310 0.86 GAA (0.36) CA12CA9GAAKDM4EMEN1
SCHEMBL16544662 0.85 CYP11B1 (0.41) CA12CA9GAAKDM4EMEN1
SCHEMBL16810784 0.84 KDM4E (0.45) GAAKDM4EL3MBTL1ALDH1A1
SCHEMBL5068071 0.81 ALDH1A1 (0.43) GAAKDM4EMEN1KMT2AL3MBTL1
SCHEMBL22042196 0.81 SIRT2 (0.34) GAAKDM4EL3MBTL1HRH3ESR2
SCHEMBL5069422 0.79 MAOA (0.41) GAAKDM4EMEN1KMT2AL3MBTL1
SCHEMBL18542386 0.79 FAAH (0.41) CA12CA9GAAKDM4EMEN1
SCHEMBL13713074 0.77 TRPA1 (0.36) GAAKDM4EMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080229-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-17 EP disclosed
US-20160308129-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308129-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
WO-2015086108-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-18 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-20160308129-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, GPX1, EPN1 CA12 1736/4885CA9 2082/4885GAA 3269/4885

“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.