SCHEMBL16440940

SCHEMBL16440940

CCCCc1ccc(COc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.63
APP P05067 1/20 0.59
HRH3 Q9Y5N1 2/20 0.54
NR4A2 P43354 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
PARP10 Q53GL7 1/20 0.51
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL16440941 0.95 MAOB (0.58) MAOBAPPHRH3NR4A2CA12
SCHEMBL16440939 0.89 MAOB (0.67) MAOBAPPHRH3NR4A2CA12
SCHEMBL16440935 0.85 MAOB (0.61) MAOBAPPNR4A2CA12CA1
SCHEMBL27312245 0.84 LTA4H (0.70) LTA4HEPHX2BCHE
SCHEMBL9815726 0.84 SLC6A2 (0.61) APPHRH3LTA4HEPHX2BCHE
SCHEMBL16440938 0.84 HRH3 (0.55) APPHRH3LTA4HEPHX2BCHE
SCHEMBL13483788 0.84 HRH3 (0.55) MAOBHRH3PARP10LTA4HEPHX2
SCHEMBL16440934 0.84 HRH3 (0.55) APPHRH3LTA4HEPHX2BCHE
SCHEMBL12721466 0.84 FFAR1 (0.50) CA1CA2LTA4HEPHX2
SCHEMBL27550091 0.83 MAOB (0.80) MAOBAPPNR4A2CA12CA1

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
US-9957213-B2 Organic compound, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO. (JP) 2018-05-01 US disclosed
US-9957213-B2 Organic compound, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO. (JP) 2018-05-01 US disclosed
US-20150034870-A1 ORGANIC COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-02-05 US disclosed
US-20150034870-A1 ORGANIC COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-02-05 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-20150034870-A1 ORGANIC COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE AR, OCIAD1, RCC2 MAOB 2243/4885APP 871/4885HRH3 415/4885

“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.