SCHEMBL4963004

SCHEMBL4963004

Oc1cc(C2CCCCCCC2)ccc1C1CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.54
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
QDPR P09417 4/20 0.49
KMO O15229 1/20 0.47
BACE1 P56817 2/20 0.44
NUDT1 P36639 1/20 0.44
HSP90AA1 P07900 1/20 0.44
EPHX2 P34913 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
SCHEMBL4960985 1.00 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL4960812 1.00 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL3361525 1.00 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL4958890 1.00 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL4957831 0.98 HDAC8 (0.55) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL4962725 0.94 QDPR (0.50) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL4961987 0.90 QDPR (0.53) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL918287 0.84 ACMSD (0.59) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL19665789 0.84 ACMSD (0.59) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL68815 0.83 QDPR (0.66) ACMSDHDAC4HDAC2HDAC8QDPR

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-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 ACMSD 365/4885HDAC4 1806/4885HDAC2 605/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT ACMSD 398/4885HDAC4 3947/4885HDAC2 4226/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 ACMSD 614/4885HDAC4 558/4885HDAC2 451/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 ACMSD 317/4885HDAC4 559/4885HDAC2 1311/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH ACMSD 1925/4885HDAC4 1817/4885HDAC2 2140/4885

“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.