SCHEMBL4960375

SCHEMBL4960375

O=C1OC(=O)c2c1cc(I)c1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.35
TYMS P04818 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2C Q14957 1/20 0.34
C1R P00736 2/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
KLK1 P06870 1/20 0.33
PRSS1 P07477 1/20 0.33
C1S P09871 1/20 0.33
GPR84 Q9NQS5 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL4963574 0.79 TYMS (0.41) ALOX15TDP1TYMSC1RF2
SCHEMBL18079670 0.77 ALDH1A1 (0.38) GPR84ALDH1A1
SCHEMBL4959186 0.77 ALOX15 (0.43) ALOX15TDP1ALOX5TYMSC1R
SCHEMBL29501815 0.77 ALOX15 (0.43) ALOX15TDP1ALOX5TYMSC1R
SCHEMBL1025152 0.77 NQO1 (0.44) ALOX15TDP1ALOX5TYMSHPGD
SCHEMBL9166710 0.77 CA12 (0.47) ALOX15TDP1MAPK1HTTALDH1A1
SCHEMBL1518035 0.77 ALOX15 (0.43) ALOX15TDP1ALOX5TYMSC1R
SCHEMBL31634605 0.77 CYP1A2 (0.44) ALOX15TDP1ALOX5HPGDSMN1; SMN2
SCHEMBL212888 0.77 TYMS (0.46) ALOX15TDP1ALOX5TYMSC1R
SCHEMBL12447848 0.74 ALOX15 (0.40) ALOX15TDP1ALOX5TYMSGPR84

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-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-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222601-A1 Oral 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 ALOX15 2046/4885TDP1 513/4885ALOX5 1179/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT ALOX15 3484/4885TDP1 986/4885ALOX5 2388/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 ALOX15 2100/4885TDP1 2359/4885ALOX5 1235/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 ALOX15 2572/4885TDP1 1487/4885ALOX5 1488/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH ALOX15 1540/4885TDP1 1650/4885ALOX5 1248/4885

“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.