SCHEMBL13879701

SCHEMBL13879701

NC1(Cc2cc(Cl)cc(Cl)c2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 2/20 0.38
SLC6A4 P31645 8/20 0.35
SLC6A3 Q01959 8/20 0.35
EPHX1 P07099 1/20 0.33
AKT2 P31751 1/20 0.33
SLC6A2 P23975 3/20 0.33
TSHR P16473 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL32662040 0.81 MAOA (0.38) MAOAMAOBSLC6A4SLC6A3SLC6A2
SCHEMBL9667972 0.79 SLC6A4 (0.50) MAOAMAOBIDO1SLC6A4SLC6A3
SCHEMBL32661917 0.78 MAOA (0.39) MAOAMAOBSLC6A4AKT2CACNA1G
SCHEMBL5218251 0.76 PNMT (0.50) MAOAMAOBIDO1SLC6A4SLC6A3
SCHEMBL32662720 0.74 MAOA (0.39) MAOAMAOBSLC6A4AKT2CACNA1G
SCHEMBL20198582 0.71 MAOA (0.79) MAOAMAOB
SCHEMBL8803044 0.71 MAOA (0.79) MAOAMAOB
SCHEMBL20104709 0.71 MAOA (0.79) MAOAMAOB
SCHEMBL2289825 0.71 MAOA (0.79) MAOAMAOB
SCHEMBL2473095 0.71 MAOA (0.59) MAOAMAOBIDO1SLC6A4SLC6A3

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-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-20090111183-A1 Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex RHEOGENE, INC. 2009-04-30 US disclosed
US-20090111183-A1 Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex RHEOGENE, INC. 2009-04-30 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-20090111183-A1 Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex ESRRB, ESRRA, KDELR1 MAOA 4519/4885MAOB 4364/4885IDO1 4624/4885

“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.