SCHEMBL17017261

SCHEMBL17017261

COc1ccc(N=C(c2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.66
ESR1 P03372 8/20 0.66
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CTSK P43235 1/20 0.49
BACE1 P56817 1/20 0.47
S100B P04271 1/20 0.47
NOS3 P29474 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL6548684 0.92 NOS3 (0.55) ESR2ESR1CES2CES1BACE1
SCHEMBL19505630 0.88 ESR1 (0.60) ESR2ESR1CES2CES1NOS3
SCHEMBL24105688 0.86 ESR2 (0.61) ESR2ESR1CES2CES1NOS3
SCHEMBL30951898 0.84 ESR2 (0.59) ESR2ESR1CES2CES1NOS3
SCHEMBL15275550 0.84 ESR2 (0.83) ESR2ESR1CES2
SCHEMBL29022906 0.80 ESR2 (1.00) ESR2ESR1CES2
SCHEMBL17017259 0.80 ADRA2A (0.44) ESR2ESR1CES2CES1LTA4H
SCHEMBL5024814 0.79 CES2 (0.60) ESR2CES2CES1LTA4H
SCHEMBL28255793 0.79 CES2 (0.60) ESR2ESR1CES2CES1LTA4H
SCHEMBL15717660 0.78 ESR2 (0.71) ESR2ESR1CES2CES1NOS3

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-9533945-B2 Ketene imine compound, polyester film, back sheet for solar cell module and solar cell module FUJIFILM CORPORATION (JP) 2017-01-03 US disclosed
US-20150232419-A1 KETENE IMINE COMPOUND, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2015-08-20 US disclosed
US-20150232419-A1 KETENE IMINE COMPOUND, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2015-08-20 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 (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-20150232419-A1 KETENE IMINE COMPOUND, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE AND SOLAR CELL MODULE KRT18, PRRC2C, PKN1 ESR2 1301/4885ESR1 647/4885CES2 1900/4885

“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.