SCHEMBL4960577

SCHEMBL4960577

Cc1cc(O)c([N+](=O)[O-])cc1C1(c2cc([N+](=O)[O-])c(O)cc2C)OC(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
LMNA P02545 6/20 0.62
NPSR1 Q6W5P4 3/20 0.62
CYP2C19 P33261 2/20 0.62
TP53 P04637 2/20 0.62
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
PAX8 Q06710 1/20 0.62
HIF1A Q16665 1/20 0.62
POLB P06746 2/20 0.59
GPR55 Q9Y2T6 2/20 0.59
ALOX12 P18054 1/20 0.59
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TDP1 Q9NUW8 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54

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
SCHEMBL4201826 0.85 MAPT (0.59) MAPTLMNANPSR1CYP2C19TP53
SCHEMBL30312328 0.83 MAPT (0.73) MAPTLMNANPSR1CYP2C19TP53
SCHEMBL2833732 0.83 MAPT (0.73) MAPTLMNANPSR1CYP2C19TP53
SCHEMBL5886228 0.80 MEN1 (0.54) MAPTLMNANPSR1CYP2C19TP53
SCHEMBL4959116 0.80 LMNA (0.64) MAPTLMNANPSR1TP53CYP3A4
SCHEMBL4960976 0.78 MAPT (0.63) MAPTLMNANPSR1CYP2C19TP53
SCHEMBL29559864 0.77 MAPT (1.00) MAPTLMNANPSR1CYP2C19TP53
SCHEMBL29942223 0.77 MAPT (1.00) MAPTLMNANPSR1CYP2C19TP53
SCHEMBL62716 0.77 MAPT (1.00) MAPTLMNANPSR1CYP2C19TP53
Methyl Alcohol SCHEMBL28942674 0.76 MAPT (0.97) MAPTLMNANPSR1CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP 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
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-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US 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-2006105261-A1 CLEANSING 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-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 MAPT 2485/4885LMNA 603/4885NPSR1 4409/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT MAPT 3034/4885LMNA 1851/4885NPSR1 4565/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 MAPT 3664/4885LMNA 2157/4885NPSR1 4543/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 MAPT 3518/4885LMNA 1435/4885NPSR1 2728/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH MAPT 720/4885LMNA 3242/4885NPSR1 352/4885

“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.