SCHEMBL680146

SCHEMBL680146

C=CCc1cccc(O)c1C(=O)c1c(O)cccc1CC=C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
AKR1B1 P15121 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42

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
SCHEMBL3803126 0.87 KAT8 (0.56) GABRA1GABRB2KDM4EHSD17B10MAPT
SCHEMBL31429734 0.87 GABRA1 (0.50) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL1570712 0.84 GABRA1 (0.47) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL4603952 0.80 CYP3A4 (0.50) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL11244618 0.79 GSTA1 (0.45) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL28664446 0.78 HPGD (0.47) GABRA1GABRB2AKR1B1KDM4EHSD17B10
2-Allylphenol SCHEMBL7162156 0.78 AKR1B1 (0.52) GABRA1GABRB2AKR1B1KDM4EALDH1A1
2-Allylphenol SCHEMBL8483563 0.77 AKR1B1 (0.55) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL2162561 0.77 GABRA1 (0.50) GABRA1GABRB2AKR1B1KDM4EALDH1A1
2-Allylphenol SCHEMBL10341577 0.77 AKR1B1 (0.55) GABRA1GABRB2AKR1B1KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
EP-2376435-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2011-10-19 EP disclosed
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 GABRA1 1956/4885GABRB2 1615/4885AKR1B1 745/4885

“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.