SCHEMBL2199933

SCHEMBL2199933

NC1(C(=O)OCc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
CASP6 P55212 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 1/20 0.35
ABCB1 P08183 1/20 0.35
GAA P10253 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SNCA P37840 1/20 0.35
BACE1 P56817 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL2199007 0.83 HTR2A (0.49) RAB9AHTR2A
SCHEMBL910070 0.80 GPR35 (0.39) MAPTALDH1A1SMN1; SMN2BACE1
SCHEMBL1055257 0.79 MAOB (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2202794 0.79 GPR35 (0.39) MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL2200275 0.78 CYP1A2 (0.48) MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL9435963 0.75 RAB9A (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1841706 0.74 DDB1 (0.50) ALDH1A1
SCHEMBL27715897 0.74 CYP3A4 (0.49) CASP6MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL551405 0.74 DDB1 (0.50) ALDH1A1
SCHEMBL2201859 0.73 CASP6 (0.35) CASP6MAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909142-B1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES (JP) 2015-06-24 EP disclosed
US-7977028-B2 Photosensitive resin composition and adhesion promoter TORAY INDUSTRIES, INC. (JP) 2011-07-12 US disclosed
US-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER TORAY INDUSTRIES, INC. (JP) 2009-05-14 US disclosed
EP-1909142-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES, INC. (JP) 2008-04-09 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-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER PCNA, TERB1, SMC2 RXRA 523/4885CASP6 4346/4885MAPT 1072/4885

“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.