SCHEMBL3192146

SCHEMBL3192146

COc1cc(OC)c(OC=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
CYP1A2 P05177 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
CYP3A4 P08684 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40

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
SCHEMBL2093200 0.83 ACHE (0.48) ERN1CYP1A2ALDH1A1CYP1A1CYP1B1
SCHEMBL14706514 0.78 TRPA1 (0.46) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL2092735 0.77 ALDH1A1 (0.58) ERN1CYP1A2ALDH1A1CYP1A1CYP1B1
SCHEMBL27750315 0.77 CYP1A2 (0.43) ERN1CYP1A2CYP3A4TUBB4ATUBB
SCHEMBL686849 0.76 CYP1A2 (0.64) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 0.76 ERN1 (0.71) ERN1CYP1A2ALDH1A1CYP1A1CYP1B1
SCHEMBL2094352 0.76 SMN1; SMN2 (0.48) ERN1CYP1A2ALDH1A1CYP1A1CYP1B1
SCHEMBL2089116 0.75 CA12 (0.65) CYP1A2ALDH1A1CYP1A1CYP1B1CYP3A4
SCHEMBL29459646 0.75 ALDH1A1 (0.58) ERN1CYP1A2ALDH1A1CYP1A1CYP1B1
SCHEMBL1002582 0.75 ALDH1A1 (0.58) ERN1CYP1A2ALDH1A1CYP1A1CYP1B1

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-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 ERN1 2138/4885CYP1A2 3249/4885ALDH1A1 3087/4885

“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.