SCHEMBL4962040

SCHEMBL4962040

CCCOc1cc(O)c(OCCC)c(OCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
ACE2 Q9BYF1 1/20 0.45
ELANE P08246 1/20 0.44
MGAM O43451 5/20 0.42
GAA P10253 5/20 0.42
SI P14410 5/20 0.42
MGAM2 Q2M2H8 5/20 0.42
ADORA3 P0DMS8 1/20 0.40
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NR5A1 Q13285 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37

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
SCHEMBL4962603 0.91 LTA4H (0.49) LTA4HACE2GAAKMT2AMEN1
SCHEMBL7305599 0.80 LTA4H (0.47) LTA4HELANEMGAMGAASI
SCHEMBL7506767 0.80 MAPT (0.46) ACE2MGAMGAASIMGAM2
SCHEMBL27729981 0.77 CSNK2A1 (0.47) LTA4HMGAMGAASIMGAM2
SCHEMBL4959099 0.77 ADORA3 (0.46) LTA4HACE2GAAADORA3KMT2A
Hydrochloric Acid SCHEMBL3565638 0.76 CSNK2A1 (0.49) LTA4HGAAKMT2AMEN1ALDH1A1
SCHEMBL11562214 0.76 ERN1 (0.54) LTA4HACE2ELANESLC5A1SLC5A2
SCHEMBL2004550 0.76 LTA4H (0.55) LTA4HELANESLC5A1SLC5A2KMT2A
SCHEMBL12703529 0.76 LTA4H (0.55) LTA4HELANESLC5A1SLC5A2KMT2A
SCHEMBL3624253 0.76 ADORA3 (0.41) LTA4HACE2ELANEGAAADORA3

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 LTA4H 2285/4885ACE2 1880/4885ELANE 1920/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT LTA4H 2769/4885ACE2 1407/4885ELANE 1117/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 LTA4H 974/4885ACE2 3294/4885ELANE 319/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 LTA4H 1153/4885ACE2 3031/4885ELANE 3201/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH LTA4H 457/4885ACE2 4547/4885ELANE 394/4885

“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.