SCHEMBL4957802

SCHEMBL4957802

CC(C)COc1cccc(OCC(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
F2 P00734 4/20 0.45
F10 P00742 4/20 0.45
PLG P00747 4/20 0.45
PLAU P00749 4/20 0.45
PLAT P00750 4/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HTR2C P28335 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1053375 0.92 ALDH1A1 (0.52) NFKB1NFKB2RELAF2F10
SCHEMBL9228456 0.87 ALDH1A1 (0.46) NFKB1NFKB2RELAF2F10
SCHEMBL8417183 0.82 TP53 (0.50) NFKB1NFKB2RELAALDH1A1TP53
SCHEMBL20764452 0.82 ERN1 (0.60) NFKB1NFKB2RELAF2F10
SCHEMBL28161740 0.82 F2 (0.46) NFKB1NFKB2RELAF2F10
SCHEMBL4334443 0.81 ALDH1A1 (0.55) ALDH1A1GAAHTR2CTLR8KDM4E
SCHEMBL30625937 0.81 HTT (0.54) NFKB1NFKB2RELAF2F10
SCHEMBL77820 0.81 GAA (0.57) NFKB1NFKB2RELAALDH1A1GAA
SCHEMBL4961658 0.80 NFKB1 (0.48) NFKB1NFKB2RELAALDH1A1GAA
SCHEMBL6157353 0.80 ALDH1A1 (0.46) NFKB1NFKB2RELAALDH1A1GAA

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-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 NFKB1 3013/4885NFKB2 3434/4885RELA 2986/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT NFKB1 3589/4885NFKB2 3636/4885RELA 3107/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 NFKB1 2140/4885NFKB2 2279/4885RELA 1805/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 NFKB1 4836/4885NFKB2 4853/4885RELA 4866/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH NFKB1 4222/4885NFKB2 4446/4885RELA 4199/4885

“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.