SCHEMBL3194516

SCHEMBL3194516

CCc1cc(CC)cc(O[C]=O)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
SOD1 P00441 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL2093439 0.79 SOD1 (0.50) SOD1CYP1A2CYP2A6
SCHEMBL2094814 0.77 SMN1; SMN2 (0.46) SOD1RXRARXRBCYP2A6
SCHEMBL9487275 0.72 PTGS2 (0.42) PTGS2RXRARXRBCYP1A2CYP2A6
SCHEMBL660859 0.72 RXRA (0.39) PTGS2RXRARXRBCYP1A2CYP2A6
SCHEMBL439074 0.71 PTGS2 (0.48) PTGS2RXRARXRBCYP1A2CYP2A6
SCHEMBL28806252 0.71 PTGS2 (0.48) PTGS2RXRARXRBCYP1A2CYP2A6
SCHEMBL11258820 0.70 ALDH1A1 (0.53) PTGS2
SCHEMBL9572629 0.69 ALOX5 (0.45)
SCHEMBL3196057 0.69 RXRA (0.36) PTGS2SOD1RXRARXRBCYP1A2
SCHEMBL1190705 0.69 ALDH1A1 (0.46)

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 PTGS2 4260/4885SOD1 45/4885RXRA 4474/4885

“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.