SCHEMBL4959191

SCHEMBL4959191

O=C1OC(=O)c2c1ccc1c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
TYMS P04818 4/20 0.41
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.35
CYP1B1 Q16678 4/20 0.35
PRNP P04156 1/20 0.34
POLB P06746 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CES2 O00748 1/20 0.33
KDM1A O60341 1/20 0.33
EED O75530 1/20 0.33
MAPT P10636 1/20 0.33
CES1 P23141 1/20 0.33
PTPN6 P29350 1/20 0.33
BLM P54132 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL29501815 0.79 ALOX15 (0.43) PARP1TYMSTDP1ALOX15TSHR
SCHEMBL1518035 0.79 ALOX15 (0.43) PARP1TYMSTDP1ALOX15TSHR
SCHEMBL29569862 0.78 ALOX15 (0.50) PARP1TYMSTDP1ALOX15TSHR
SCHEMBL550679 0.78 ALOX15 (0.50) PARP1TYMSTDP1ALOX15TSHR
SCHEMBL4960390 0.78 TYMS (0.58) TYMSTDP1ALOX15TSHRPOLB
SCHEMBL29902429 0.78 HPGD (0.42) PARP1TYMSTDP1ALOX15TSHR
SCHEMBL4963574 0.78 TYMS (0.41) TYMSTDP1ALOX15TSHRPOLB
SCHEMBL4962055 0.78 TYMS (0.41) PARP1TYMSTDP1ALOX15CYP1B1
SCHEMBL21874442 0.78 HPGD (0.42) PARP1TYMSTDP1ALOX15TSHR
SCHEMBL16447298 0.75 TYMS (0.39) PARP1TYMSTDP1ALOX15TSHR

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-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 PARP1 2663/4885TYMS 4072/4885TDP1 513/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT PARP1 2971/4885TYMS 884/4885TDP1 986/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 PARP1 3690/4885TYMS 953/4885TDP1 2359/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 PARP1 3423/4885TYMS 2967/4885TDP1 1487/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH PARP1 3128/4885TYMS 4483/4885TDP1 1650/4885

“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.