SCHEMBL13640726

SCHEMBL13640726

Cc1ccc(-c2coc3ccccc3c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.61
MAPT P10636 5/20 0.54
MAOB P27338 9/20 0.54
MAOA P21397 5/20 0.54
ALOX12 P18054 2/20 0.52
ALOX15 P16050 1/20 0.52
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 4/20 0.51
TP53 P04637 3/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
Isoflavone SCHEMBL6290885 0.86 ALDH1A1 (0.66) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL6542422 0.86 ALDH1A1 (0.66) MIFMAPTMAOBMAOAALOX12
SCHEMBL8338813 0.86 PIN1 (0.46) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL8028 0.86 ALDH1A1 (0.66) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL31264756 0.86 ALDH1A1 (0.66) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL27523008 0.85 ALDH1A1 (0.65) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL5846515 0.84 ALDH1A1 (0.64) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL5846511 0.84 ALDH1A1 (0.64) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL5854324 0.84 ALDH1A1 (0.64) MIFMAPTMAOBMAOAALOX12
Isoflavone SCHEMBL27846670 0.84 ALDH1A1 (0.64) MIFMAPTMAOBMAOAALOX12

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
CN-109400568-B 7-aryloxy acetoxyl isoflavone derivative and application thereof in pesticides 江苏大学 2022-10-25 CN disclosed
US-9573921-B2 Substituted N, N-dimethylaminoalkyl ethers of isoflavanone oximes as H1-receptor antagonists POLFARMEX S.A. (PL) 2017-02-21 US disclosed
US-20160237055-A1 NOVEL SUBSTITUTED N, N-DIMETHYLAMINOALKYL ETHERS OF ISOFLAVANONE OXIMES AS H1-RECEPTOR ANTAGONISTS POLFARMEX S.A. (PL) 2016-08-18 US disclosed
US-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NORTHWESTERN UNIVERSITY (US) 2012-11-08 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 (2 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-20160237055-A1 NOVEL SUBSTITUTED N, N-DIMETHYLAMINOALKYL ETHERS OF ISOFLAVANONE OXIMES AS H1-RECEPTOR ANTAGONISTS HRH4, HRH1, HRH3 MIF 2524/4885MAPT 4765/4885MAOB 937/4885
US-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 MIF 574/4885MAPT 2493/4885MAOB 2694/4885

“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.