SCHEMBL4958869

SCHEMBL4958869

O=C1OC(=O)c2c(Cl)c1cc1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
GPR84 Q9NQS5 6/20 0.42
CES1 P23141 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NQO1 P15559 1/20 0.40
TYMS P04818 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DNMT1 P26358 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5457121 0.79 ALOX5 (0.43) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL4960206 0.79 ALOX5 (0.43) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL10880492 0.79 NQO1 (0.51) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL4960173 0.79 ALOX5 (0.43) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL4960932 0.78 TYMS (0.40) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL1270411 0.77 ALOX5 (0.56) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL30817881 0.77 ALOX5 (0.56) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL22580812 0.76 ALOX15 (0.41) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL15024600 0.76 CES1 (0.46) ALOX5GPR84CES1KDM4EMEN1
SCHEMBL2347717 0.76 TYMS (0.57) ALOX5GPR84CES1KDM4EALOX15

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 ALOX5 1179/4885GPR84 1226/4885CES1 3506/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT ALOX5 2388/4885GPR84 3605/4885CES1 1561/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 ALOX5 1235/4885GPR84 2269/4885CES1 3387/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 ALOX5 1488/4885GPR84 1123/4885CES1 2024/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH ALOX5 1248/4885GPR84 2719/4885CES1 3577/4885

“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.