SCHEMBL10099547

SCHEMBL10099547

CC(C)CCCCCNC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.69
▸ HDAC1 Q13547 5/20 0.64
▸ HDAC2 Q92769 5/20 0.64
▸ HDAC8 Q9BY41 5/20 0.64
▸ HDAC6 Q9UBN7 5/20 0.64
▸ HDAC3 O15379 4/20 0.64
▸ HDAC4 P56524 4/20 0.64
▸ HDAC7 Q8WUI4 4/20 0.64
▸ HDAC10 Q969S8 4/20 0.64
▸ HDAC11 Q96DB2 4/20 0.64
▸ HDAC9 Q9UKV0 4/20 0.64
▸ HDAC5 Q9UQL6 4/20 0.64
▸ NPC1 O15118 4/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ EPHX2 P34913 1/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ NAMPT P43490 1/20 0.54

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
SCHEMBL12650598 0.98 NAAA (0.66) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL10137831 0.93 SMN1; SMN2 (0.67) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL20362840 0.88 RAB9A (0.64) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL10174286 0.87 NPC1 (0.59) NAAANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL496789 0.86 SMN1; SMN2 (0.81) NAAANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL9452844 0.86 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9492235 0.86 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL7460068 0.86 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL20734829 0.86 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9489756 0.86 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 — — US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 — — US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 — — 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 (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-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 NAAA 2912/4885HDAC1 622/4885HDAC2 1820/4885

“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.

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