SCHEMBL4957844

SCHEMBL4957844

CCCCCCCCCOc1ccc(OCCCCCCCCC)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.66
LTA4H P09960 2/20 0.57
CNR2 P34972 2/20 0.53
ESR1 P03372 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLA2G4B P0C869 1/20 0.49

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
SCHEMBL4963128 1.00 NR5A1 (0.66) NR5A1LTA4HCNR2ESR1TSHR
SCHEMBL4961743 1.00 NR5A1 (0.66) NR5A1LTA4HCNR2ESR1TSHR
SCHEMBL4963096 1.00 NR5A1 (0.66) NR5A1LTA4HCNR2ESR1TSHR
SCHEMBL4960102 1.00 NR5A1 (0.66) NR5A1LTA4HCNR2ESR1TSHR
SCHEMBL4958034 0.98 NR5A1 (0.62) NR5A1LTA4HCNR2ESR1TSHR
SCHEMBL4961756 0.95 LTA4H (0.56) NR5A1LTA4HCNR2ESR1TSHR
SCHEMBL26548848 0.91 NR5A1 (0.58) NR5A1LTA4HCNR2TSHRTP53
SCHEMBL9698566 0.90 NR5A1 (0.57) NR5A1LTA4HESR1S1PR2S1PR1
SCHEMBL9698477 0.90 NR5A1 (0.57) NR5A1LTA4HESR1S1PR2S1PR1
SCHEMBL28095186 0.88 NR5A1 (0.58) NR5A1LTA4HCNR2ESR1TSHR

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-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 NR5A1 863/4885LTA4H 2285/4885CNR2 4575/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT NR5A1 4294/4885LTA4H 2769/4885CNR2 4368/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 NR5A1 2257/4885LTA4H 974/4885CNR2 4346/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 NR5A1 2623/4885LTA4H 1153/4885CNR2 2186/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH NR5A1 558/4885LTA4H 457/4885CNR2 1253/4885

“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.