SCHEMBL4962030

SCHEMBL4962030

O=C1OC(=O)c2c1ccc1ccc([N+](=O)[O-])cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
PTPRC P08575 3/20 0.46
S100A4 P26447 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CES1 P23141 1/20 0.45
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL31268201 1.00 ALDH1A1 (0.63) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL7982419 0.90 ALDH1A1 (0.58) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL4960637 0.89 ALDH1A1 (0.61) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL29661178 0.78 ALDH1A1 (1.00) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL158311 0.78 ALDH1A1 (1.00) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL31268251 0.77 ALDH1A1 (0.71) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL7985009 0.76 MAPT (0.56) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL9077614 0.75 ALDH1A1 (0.54) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL4959454 0.73 S100A4 (0.39) PTPRCS100A4TDP1GABRPGABRD
SCHEMBL4960863 0.73 CA12 (0.37) ALDH1A1TDP1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 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 (5 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR ALDH1A1 1045/4885PTPRC 2033/4885S100A4 3041/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT ALDH1A1 466/4885PTPRC 367/4885S100A4 230/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 ALDH1A1 1632/4885PTPRC 4376/4885S100A4 109/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 ALDH1A1 67/4885PTPRC 1636/4885S100A4 787/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH ALDH1A1 1689/4885PTPRC 4606/4885S100A4 37/4885

“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.