SCHEMBL3192136

SCHEMBL3192136

COc1cc(OC)c(O[C]=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 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
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 1/20 0.40
ABCB1 P08183 1/20 0.38
ACHE P22303 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL2093197 0.83 ACHE (0.48) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL2092734 0.77 ALDH1A1 (0.58) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL686849 0.76 CYP1A2 (0.64) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL2094349 0.76 SMN1; SMN2 (0.48) ALDH1A1CYP3A4CA12CA1CA2
SCHEMBL2090982 0.75 CA12 (0.65) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL2677978 0.75 CYP1A2 (0.44) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL2089114 0.75 CA12 (0.65) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
Formaldehyde SCHEMBL28179692 0.75 CYP1A2 (0.57) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL2095222 0.73 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1
SCHEMBL95360 0.72 CA2 (0.61) CYP1A2ALDH1A1CYP3A4CYP1A1CYP1B1

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 CYP1A2 3249/4885ALDH1A1 3087/4885CYP3A4 4098/4885

“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.