SCHEMBL4957643

SCHEMBL4957643

CCCCCCCCCOc1cccc(OCCCCCCCCC)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
NR1I2 O75469 1/20 0.56
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
MAPT P10636 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NR5A1 Q13285 1/20 0.53
MCHR1 Q99705 2/20 0.51
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL4959319 1.00 MEN1 (0.56) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL4958036 1.00 MEN1 (0.56) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL4961274 1.00 MEN1 (0.56) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL4958019 1.00 MEN1 (0.56) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL11765117 1.00 MEN1 (0.56) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL4960319 0.98 MEN1 (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5587993 0.92 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10608059 0.92 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10705985 0.92 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5587927 0.92 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4

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 14 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
US-7078407-B2 4-hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-18 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 MEN1 2817/4885NR1I2 1355/4885LMNA 603/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT MEN1 1113/4885NR1I2 4436/4885LMNA 1851/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 MEN1 3449/4885NR1I2 1451/4885LMNA 2157/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 MEN1 3755/4885NR1I2 2688/4885LMNA 1435/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH MEN1 3006/4885NR1I2 1219/4885LMNA 3242/4885

“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.