SCHEMBL17936610

SCHEMBL17936610

C=CCc1cc(CO)c(O)c(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
GABRA1 P14867 5/20 0.39
GABRB2 P47870 5/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PTGS1 P23219 2/20 0.37
CYP3A4 P08684 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL16632829 0.84 TNKS (0.52) TNKSTNKS2GABRA1GABRB2GABRA5
SCHEMBL17936611 0.82 PTPN1 (0.46) TNKSGABRA1GABRB2KDM4EALDH1A1
SCHEMBL16429697 0.81 TNKS (0.57) TNKSTNKS2GABRA1GABRB2GABRA5
SCHEMBL30763302 0.81 TNKS (0.57) TNKSTNKS2GABRA1GABRB2GABRA5
SCHEMBL1005864 0.79 TNKS (0.61) TNKSTNKS2GABRA1GABRB2KDM4E
SCHEMBL4557585 0.78 KDM4E (0.45) TNKSTNKS2GABRA1GABRB2GABRA5
SCHEMBL14372980 0.77 GAA (0.41) GABRA1GABRB2GABRA5GABRA3GABRA2
SCHEMBL12283876 0.77 KDM4E (0.46) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL8034320 0.76 TNKS (0.43) TNKSTNKS2GABRA1GABRB2KDM4E
SCHEMBL7264993 0.75 ALDH1A1 (0.44) GABRA1GABRB2GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207860-A1 PROCESS FOR PREPARING SYNTHETIC PARA-EUGENOL SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-07-21 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-20160207860-A1 PROCESS FOR PREPARING SYNTHETIC PARA-EUGENOL PTGES, ESD, MED25 TNKS 1240/4885TNKS2 1687/4885GABRA1 2266/4885

“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.