SCHEMBL4960863

SCHEMBL4960863

O=C1OC(=O)c2c1ccc1ccc(I)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
ALOX5 P09917 1/20 0.36
TYMS P04818 4/20 0.36
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
DNMT1 P26358 1/20 0.33
APP P05067 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP2 O95551 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4960245 0.88 SIRT2 (0.41) CA12CA7ALOX5TYMSALOX15
SCHEMBL4959454 0.79 S100A4 (0.39) CA7ALOX5TYMSALOX15TDP1
SCHEMBL4960194 0.79 CHEK1 (0.40) CA12CA7ALOX5TYMSMEN1
SCHEMBL4960256 0.79 CDC25A (0.39) CA7ALOX5TYMSALOX15TDP1
SCHEMBL29423627 0.77 DNMT1 (0.55) TYMSALOX15TDP1DNMT1ALDH1A1
SCHEMBL137604 0.77 DNMT1 (0.55) TYMSALOX15TDP1DNMT1ALDH1A1
SCHEMBL1270918 0.76 ALOX15 (0.41) ALOX5TYMSALOX15TDP1DNMT1
SCHEMBL29262283 0.76 DNMT1 (0.53) TYMSALOX15TDP1DNMT1ALDH1A1
SCHEMBL31619934 0.75 ALOX15 (0.40) ALOX5TYMSALOX15TDP1DNMT1
SCHEMBL17256684 0.75 TTR (0.45) CA12CA7TYMSALDH1A1MEN1

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 CA12 2044/4885CA7 70/4885ALOX5 1179/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT CA12 15/4885CA7 5/4885ALOX5 2388/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 CA12 38/4885CA7 2/4885ALOX5 1235/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 CA12 16/4885CA7 3/4885ALOX5 1488/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH CA12 997/4885CA7 845/4885ALOX5 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.