SCHEMBL16558283

SCHEMBL16558283

c1ccc2c(c1)NCNc1ccccc1OCC1(CO2)COc2ccccc2NCNc2ccccc2OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
PARP1 P09874 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
THPO P40225 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
SCHEMBL19101420 0.82 GRK6 (0.36)
SCHEMBL19744815 0.81 GAA (0.38) GAANPSR1ALOX5ALDH1A1BRD4
SCHEMBL14828316 0.78 ALOX5 (0.43) GAANPSR1ALOX5ALDH1A1BRD4
SCHEMBL17427498 0.78 ABCG2 (0.55) ALOX5ABCG2ITGB2ICAM1ITGAL
SCHEMBL13618642 0.73 GAA (0.38) GAANPSR1ALOX5BRD4CREBBP
SCHEMBL335978 0.72
SCHEMBL27872 0.72
SCHEMBL19744430 0.71 GAA (0.36) GAANPSR1ALOX5BRD4ADRA2A
SCHEMBL19139930 0.70 GAA (0.44) GAAALOX5ALDH1A1BRD4CREBBP
SCHEMBL30549 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577725-B2 Fiber and fiber structure TEIJIN LIMITED (JP) 2020-03-03 US disclosed
US-9957375-B2 Resin composition TEIJIN LIMITED (JP) 2018-05-01 US disclosed
US-20170260361-A1 RESIN COMPOSITION TEIJIN LIMITED (JP) 2017-09-14 US disclosed
US-20170253693-A1 THERMOSETTING RESIN COMPOSITION TEIJIN LIMITED (JP) 2017-09-07 US disclosed
US-9745446-B2 Resin composition TEIJIN LIMITED (JP) 2017-08-29 US disclosed
US-9650350-B2 Polylactic acid composition TEIJIN LIMITED (JP) 2017-05-16 US disclosed
US-20150068602-A1 CYCLIC CARBODIIMIDE COMPOUND, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2015-03-12 US disclosed
US-20150068602-A1 CYCLIC CARBODIIMIDE COMPOUND, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2015-03-12 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-20170253693-A1 THERMOSETTING RESIN COMPOSITION KDM4B, KDM2B, MLLT1 GAA 4013/4885NPSR1 4380/4885ALOX5 1474/4885
US-20150068602-A1 CYCLIC CARBODIIMIDE COMPOUND, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE CCNT1, CRY1, CCND1 GAA 4748/4885NPSR1 4299/4885ALOX5 2132/4885

“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.