SCHEMBL4957636

SCHEMBL4957636

CC(C)COc1ccc(OCC(C)C)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
ADRB2 P07550 3/20 0.46
ADRB1 P08588 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
FOS P01100 2/20 0.45

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
SCHEMBL339174 0.85 PDK2 (0.50) ALDH1A1ADRB2ADRB1LMNAPOLB
SCHEMBL1083387 0.85 ADRB2 (0.61) ALDH1A1ADRB2ADRB1FOSJUN
SCHEMBL4229113 0.81 ADRB2 (0.46) ALDH1A1ADRB2ADRB1LMNAPOLB
SCHEMBL4286099 0.81 FOS (0.52) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3727775 0.80 KDM1A (0.54) ALDH1A1GAALMNAMAPTHPGD
SCHEMBL17540921 0.80 KMT2A (0.46) ALDH1A1ADRB2ADRB1LMNAPOLB
SCHEMBL28221888 0.79 ADRB2 (0.47) ALDH1A1GAAADRB2ADRB1LMNA
SCHEMBL3173896 0.78 SLC6A2 (0.58) ALDH1A1ADRB2ADRB1LMNAPOLB
SCHEMBL3720155 0.78 ADRB2 (0.46) ALDH1A1ADRB2ADRB1LMNAPOLB
SCHEMBL27566262 0.77 FOS (0.54) ALDH1A1GAATUBB4ATUBBTUBA3C

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 ALDH1A1 1045/4885GAA 797/4885ADRB2 3651/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT ALDH1A1 466/4885GAA 234/4885ADRB2 4084/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 ALDH1A1 1632/4885GAA 721/4885ADRB2 4234/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 ALDH1A1 67/4885GAA 14/4885ADRB2 4125/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH ALDH1A1 1689/4885GAA 1361/4885ADRB2 3558/4885

“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.