SCHEMBL680148

SCHEMBL680148

C=CCc1ccc(C(=O)c2ccc(CC=C)cc2O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.63
GABRA1 P14867 5/20 0.56
GABRB2 P47870 5/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CNR2 P34972 3/20 0.56
GAA P10253 2/20 0.56
CNR1 P21554 2/20 0.56
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH2 P05091 1/20 0.56
AKR1B1 P15121 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TNKS O95271 1/20 0.51
PARP1 P09874 1/20 0.51
ALOX5 P09917 4/20 0.49

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
SCHEMBL11565823 0.92 XDH (0.54) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL977495 0.87 XDH (0.61) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL9495776 0.87 MEN1 (0.57) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL5831660 0.86 XDH (0.59) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL9246348 0.86 XDH (0.59) XDHGABRA1GABRB2ALDH1A1MAPT
Zinc Ion SCHEMBL9246345 0.84 XDH (0.58) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL25315139 0.80 MEN1 (0.57) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL5831664 0.80 XDH (0.61) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL25287635 0.78 XDH (0.76) XDHGABRA1GABRB2ALDH1A1MAPT
Hydroxychavicol SCHEMBL43300 0.78 XDH (1.00) XDHGABRA1GABRB2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152798-A1 Photo-initiator compositions SURFACE SPECIALTIES, S.A. (BE) 2004-08-05 US claimed
US-4177122-A ETHERIFICATION WITH AN ALKYLENE OXIDE FOLLOWED BY ESTERIFICATION WITH AN UNSATURATED CARBOXYLIC ACID TOYO INK MANUFACTURING CO., LTD. (JP) 1979-12-04 US claimed
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
US-4177122-A ETHERIFICATION WITH AN ALKYLENE OXIDE FOLLOWED BY ESTERIFICATION WITH AN UNSATURATED CARBOXYLIC ACID TOYO INK MANUFACTURING CO., LTD. (JP) 1979-12-04 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 XDH 62/4885GABRA1 1956/4885GABRB2 1615/4885

“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.