SCHEMBL9893480

SCHEMBL9893480

C[C](C)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
FBP1 P09467 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
ACP3 P15309 1/20 0.37
TRPA1 O75762 1/20 0.36
NPC1 O15118 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL359219 0.86 KMT2A (0.44) GSRFBP1KMT2AMEN1MAPT
SCHEMBL4423313 0.83 GSR (0.44) GSRKMT2AMAPTNPSR1KDM4E
SCHEMBL74691 0.81 SRC (0.48) GSRTDP1LMNAALDH1A1CYP2D6
SCHEMBL15542316 0.80 KMT2A (0.46) GSRKMT2AMEN1MAPTTDP1
SCHEMBL1538911 0.79 CES2 (0.43) GSRFBP1TDP1LMNAALDH1A1
SCHEMBL11602507 0.79 SRC (0.46) GSRTDP1LMNAALDH1A1CYP2D6
SCHEMBL31314504 0.79 GSR (0.42) GSRFBP1KMT2AMAPTNPSR1
SCHEMBL5692151 0.79 GSR (0.42) GSRTDP1LMNAALDH1A1CYP2D6
SCHEMBL887039 0.79 SRC (0.46) GSRTDP1LMNAALDH1A1CYP2D6
SCHEMBL11602886 0.79 SRC (0.46) GSRTDP1LMNAALDH1A1CYP2D6

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-9040626-B2 Nanofibers and morphology shifting micelles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-26 US disclosed
US-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-14 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-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES MFAP1, LGALS4, TLN1 GSR 1365/4885FBP1 4692/4885KMT2A 2800/4885

“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.