SCHEMBL13879702

SCHEMBL13879702

O=[N+]([O-])C1(Cc2cc(Cl)cc(Cl)c2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL7502415 0.76 ALDH1A1 (0.41) KMT2AALDH1A1LMNAMAPTTSHR
SCHEMBL1822806 0.72 LOXL2 (0.48) POLBALDH1A1LMNAMAPTTSHR
Carbamic Acid SCHEMBL16174718 0.70 ALDH1A1 (0.43) ALDH1A1MAPTTSHR
SCHEMBL13879701 0.69 MAOA (0.41) TSHR
SCHEMBL9416346 0.67 ALDH1A1 (0.30) ALDH1A1LMNAMAPT
SCHEMBL63229 0.65 MEN1 (0.34) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL13978035 0.64 MME (0.31)
SCHEMBL31143050 0.64 TSHR (0.43) ALDH1A1TSHR
SCHEMBL29170291 0.64 CYP2D6 (0.35) TSHR
SCHEMBL899244 0.64 TSHR (0.30) ALDH1A1LMNATSHR

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 2 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-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 MEN1 4172/4885KMT2A 1936/4885POLB 3823/4885

“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.