SCHEMBL3185124

SCHEMBL3185124

CN(C)c1cccc(O[C]=O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 1/20 0.46
APP P05067 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B2 P37059 3/20 0.38
HSD17B1 P14061 2/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HRH4 Q9H3N8 1/20 0.35
FAAH O00519 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35

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
SCHEMBL20434586 0.81 BCHE (0.46) BCHEACHEAPPALDH1A1TSHR
SCHEMBL8151669 0.79 KMT2A (0.41) ACHEALDH1A1TSHR
SCHEMBL390876 0.77 ALDH1A1 (0.52) BCHEACHEAPPALDH1A1TSHR
SCHEMBL30085363 0.77 ALDH1A1 (0.52) BCHEACHEAPPALDH1A1TSHR
SCHEMBL5309821 0.77 APP (0.53) BCHEACHEAPPALDH1A1TSHR
SCHEMBL7294375 0.76 HSD17B2 (0.56) TSHRHSD17B2HSD17B1
SCHEMBL29616476 0.76 APP (0.47) BCHEACHEAPPALDH1A1TSHR
SCHEMBL194827 0.75 ALDH1A1 (0.50) APPALDH1A1TSHR
SCHEMBL29636366 0.75 ACHE (0.52) BCHEACHEAPPALDH1A1TSHR
SCHEMBL820669 0.75 ACHE (0.52) BCHEACHEAPPALDH1A1TSHR

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 BCHE 2819/4885ACHE 1129/4885APP 1101/4885

“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.