SCHEMBL7739753

SCHEMBL7739753

O=CN(CCCCCCO)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
HDAC2 Q92769 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 3/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
RRM1 P23921 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8989023 1.00 CCR6 (0.41) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL667448 0.98 CCR6 (0.42) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL7305614 0.94 LTA4H (0.41) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL8495462 0.87 CCR6 (0.38) CCR6PAX8L3MBTL1LTA4HEPHX2
SCHEMBL9879981 0.85 MAPT (0.49) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL6618522 0.85 MAPT (0.49) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL12487961 0.85 L3MBTL1 (0.38) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL12487405 0.85 L3MBTL1 (0.38) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL8988866 0.85 L3MBTL1 (0.37) CCR6PAX8L3MBTL1HDAC2HDAC8
SCHEMBL8989038 0.85 L3MBTL1 (0.37) CCR6PAX8L3MBTL1HDAC2HDAC8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8961931-B2 18F-labeled monomeric galactose derivative used as tomography probe INSTITUTE OF NUCLEAR ENERGY RESEARCH, ATOMIC ENERGY COUNCIL (TW) 2015-02-24 US disclosed
US-20120259102-A1 18F-Labeled Monomeric Galactose Derivative Used as Tomography Probe ATOMIC ENERGY COUNCIL-INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2012-10-11 US disclosed
US-6406894-B1 BIODEGRADABLE POLYMER, DISACCHARIDE OR OLIGOSACCHARIDE, CROSSLINKING AND COUPLING GLYCOREX AB (SE) 2002-06-18 US disclosed
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
EP-0420806-B1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed
EP-0420806-A1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA-GEIGY AG (CH) 1991-04-03 EP 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 (1 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-20120259102-A1 18F-Labeled Monomeric Galactose Derivative Used as Tomography Probe UGGT1, GALK1, GALE CCR6 4589/4885PAX8 3255/4885L3MBTL1 473/4885

“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.