SCHEMBL2894797

SCHEMBL2894797

COC(C)c1[c]cnn1-c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.37
HIF1A Q16665 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPBWR1 P48145 1/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33
MAPK14 Q16539 1/20 0.32
HTT P42858 2/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2899225 0.84 SLC5A1 (0.32) OPRM1
SCHEMBL2902947 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHIF1AKDM4ETP53
SCHEMBL2897174 0.78 MALT1 (0.31)
SCHEMBL2897551 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHIF1AKDM4ETP53
SCHEMBL2901089 0.73
SCHEMBL2903009 0.70 CYP17A1 (0.35)
SCHEMBL2897492 0.68 ALDH1A1 (0.37) ALDH1A1LMNAHIF1AKDM4ETP53
SCHEMBL1907972 0.63 NPC1 (0.40) ALDH1A1LMNAHIF1AKDM4ETP53
SCHEMBL2897537 0.62 MGLL (0.33) MGLL
SCHEMBL2902936 0.62 KCNN4 (0.35) ALDH1A1LMNATP53PKMSMN1; SMN2

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR ALDH1A1 551/4885LMNA 2262/4885HIF1A 4690/4885

“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.