SCHEMBL17614918

SCHEMBL17614918

Ic1c(-c2cccc(-c3ccccc3)c2)c2c3c(I)c(-c4cccc(-c5ccccc5)c4)c4c5c(I)c(-c6cccc(-c7ccccc7)c6)c6c7c(I)c(-c8cccc(-c9ccccc9)c8)c8cccc9c(I)c(-c%10cccc(-c%11ccccc%11)c%10)c(c%10c(I)c(-c%11cccc(-c%12ccccc%12)c%11)c(c%11c(I)c(-c%12cccc(-c%13ccccc%13)c%12)c(c%12c(I)c(-c%13cccc(-c%14ccccc%14)c%13)c%13cccc1c%13c2%12)c3c%114)c5c%106)c7c98

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
KMO O15229 1/20 0.33
MAOA P21397 1/20 0.32
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL17614919 0.90 ESR1 (0.36)
SCHEMBL13016390 0.75 ESR1 (0.36) KMOMAOANISCH
SCHEMBL12415341 0.73 MAOA (0.40) MGLLKMOMAOANISCH
SCHEMBL22717308 0.70 ESR1 (0.39)
SCHEMBL27919629 0.68 MAOA (0.46) MGLLKMOMAOA
SCHEMBL13017640 0.68 HSD17B1 (0.42)
SCHEMBL3783779 0.67 ESR1 (0.40) MAOA
SCHEMBL3786155 0.67 ESR1 (0.40) MAOA
SCHEMBL7900244 0.67 MAOA (0.44) MGLLKMOMAOANISCH
SCHEMBL13017648 0.66 HSD17B1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10014475-B2 Graphene nanoribbons as semiconductors for organic thin film transistors EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2018-07-03 US disclosed
US-20160087212-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS FOR ORGANIC THIN FILM TRANSISTORS CRESTLINE DIRECT FINANCE, L.P. 2016-03-24 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 (2 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-10014475-B2 Graphene nanoribbons as semiconductors for organic thin film transistors STRA6, OR10J3, EPCAM MGLL 2283/4885KMO 3554/4885MAOA 1663/4885
US-20160087212-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS FOR ORGANIC THIN FILM TRANSISTORS STRA6, OR10J3, EPCAM MGLL 2283/4885KMO 3554/4885MAOA 1663/4885

“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.